5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide

C13H22N2O3 — CID 99855966

IUPAC5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCC[C@@H](O)C(C)C
InChIInChI=1S/C13H22N2O3/c1-5-11-12(9(4)15-18-11)13(17)14-7-6-10(16)8(2)3/h8,10,16H,5-7H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyOBDRHQYMYNPBIP-SNVBAGLBSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds6

About 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide

5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 99855966) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID99855966
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCC[C@@H](O)C(C)C
InChIInChI=1S/C13H22N2O3/c1-5-11-12(9(4)15-18-11)13(17)14-7-6-10(16)8(2)3/h8,10,16H,5-7H2,1-4H3,(H,14,17)/t10-/m1/s1
InChIKeyOBDRHQYMYNPBIP-SNVBAGLBSA-N
XLogP1.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(3-hydroxy-4-methylpentyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798271
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461266
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760258
4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 80538543
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
5-ethyl-N,N,3-trimethyl-1,2-oxazole-4-carboxamide
CID 130964727
5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798207
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764952
N-[4-(dimethylcarbamoyl)phenyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112794910

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 99855966) is 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)NCC[C@@H](O)C(C)C.
What is the InChIKey of 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OBDRHQYMYNPBIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-11-12(9(4)15-18-11)13(17)14-7-6-10(16)8(2)3/h8,10,16H,5-7H2,1-4H3,(H,14,17)/t10-/m1/s1.
What are the key properties of 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide?
5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99855966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).