N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

C89H170ClN13O9 — CID 165000082

IUPACN-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)C(=O)NC(C(C)C)C(C)C.CC(C)C(=O)N[C@@H](C(C)C)C1CC1.CC(C)C(=O)N[C@@H](C(C)C)C1CCCC1.CC(C)C(=O)N[C@@H](C(C)C)[C@@H](C)O.CC(C)C(=O)N[C@@H](C(C)C)[C@H](C)Cl.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H25NO.C11H21NO.C11H23NO.C10H20ClNO.C10H21NO2.C10H17NO.C8H15N3.2C8H14N2O/c1-9(2)12(11-7-5-6-8-11)14-13(15)10(3)4;1-7(2)10(9-5-6-9)12-11(13)8(3)4;1-7(2)10(8(3)4)12-11(13)9(5)6;1-6(2)9(8(5)11)12-10(13)7(3)4;1-6(2)9(8(5)12)11-10(13)7(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h9-12H,5-8H2,1-4H3,(H,14,15);7-10H,5-6H2,1-4H3,(H,12,13);7-10H,1-6H3,(H,12,13);6-9H,1-5H3,(H,12,13);6-9,12H,1-5H3,(H,11,13);6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3/t12-;10-;;8-,9-;8-,9+;;;;/m00.01..../s1
InChIKeyIDAYMELXSGMDPA-IBVYBLAMSA-N
MW1601.87 g/mol
LogP21.09
Rot. Bonds28

About N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole

N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (PubChem CID 165000082) has the molecular formula C89H170ClN13O9 and a molecular weight of 1601.87 g/mol. Its IUPAC name is N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound NameN-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
PubChem CID165000082
Molecular FormulaC89H170ClN13O9
Molecular Weight1601.87 g/mol
Exact Mass1600.29
IUPAC NameN-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)C(=O)NC(C(C)C)C(C)C.CC(C)C(=O)N[C@@H](C(C)C)C1CC1.CC(C)C(=O)N[C@@H](C(C)C)C1CCCC1.CC(C)C(=O)N[C@@H](C(C)C)[C@@H](C)O.CC(C)C(=O)N[C@@H](C(C)C)[C@H](C)Cl.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H25NO.C11H21NO.C11H23NO.C10H20ClNO.C10H21NO2.C10H17NO.C8H15N3.2C8H14N2O/c1-9(2)12(11-7-5-6-8-11)14-13(15)10(3)4;1-7(2)10(9-5-6-9)12-11(13)8(3)4;1-7(2)10(8(3)4)12-11(13)9(5)6;1-6(2)9(8(5)11)12-10(13)7(3)4;1-6(2)9(8(5)12)11-10(13)7(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h9-12H,5-8H2,1-4H3,(H,14,15);7-10H,5-6H2,1-4H3,(H,12,13);7-10H,1-6H3,(H,12,13);6-9H,1-5H3,(H,12,13);6-9,12H,1-5H3,(H,11,13);6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3/t12-;10-;;8-,9-;8-,9+;;;;/m00.01..../s1
InChIKeyIDAYMELXSGMDPA-IBVYBLAMSA-N
XLogP21.09
TPSA311.17 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.87
LogP ≤ 521.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole (CID 165000082) is N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is CC(C)C(=O)NC(C(C)C)C(C)C.CC(C)C(=O)N[C@@H](C(C)C)C1CC1.CC(C)C(=O)N[C@@H](C(C)C)C1CCCC1.CC(C)C(=O)N[C@@H](C(C)C)[C@@H](C)O.CC(C)C(=O)N[C@@H](C(C)C)[C@H](C)Cl.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1noc(C(C)C)n1.Cc1oc(C(C)C)nc1C(C)C.
What is the InChIKey of N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
The InChIKey is IDAYMELXSGMDPA-IBVYBLAMSA-N. The full InChI is InChI=1S/C13H25NO.C11H21NO.C11H23NO.C10H20ClNO.C10H21NO2.C10H17NO.C8H15N3.2C8H14N2O/c1-9(2)12(11-7-5-6-8-11)14-13(15)10(3)4;1-7(2)10(9-5-6-9)12-11(13)8(3)4;1-7(2)10(8(3)4)12-11(13)9(5)6;1-6(2)9(8(5)11)12-10(13)7(3)4;1-6(2)9(8(5)12)11-10(13)7(3)4;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h9-12H,5-8H2,1-4H3,(H,14,15);7-10H,5-6H2,1-4H3,(H,12,13);7-10H,1-6H3,(H,12,13);6-9H,1-5H3,(H,12,13);6-9,12H,1-5H3,(H,11,13);6-7H,1-5H3;5-6H,1-4H3,(H,9,10,11);2*5-6H,1-4H3/t12-;10-;;8-,9-;8-,9+;;;;/m00.01..../s1.
What are the key properties of N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole?
N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole has a molecular weight of 1601.87 g/mol, XLogP of 21.09, 28 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-chloro-4-methylpentan-3-yl]-2-methylpropanamide;N-[(1S)-1-cyclopentyl-2-methylpropyl]-2-methylpropanamide;N-[(1S)-1-cyclopropyl-2-methylpropyl]-2-methylpropanamide;N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;N-[(2R,3S)-2-hydroxy-4-methylpentan-3-yl]-2-methylpropanamide;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 165000082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).