N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

C13H22N2O2 — CID 134005900

IUPACN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyGAOFUIPJWILXHY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.83
Rot. Bonds4

About N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 134005900) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID134005900
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)CC(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3
InChIKeyGAOFUIPJWILXHY-UHFFFAOYSA-N
XLogP2.83
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 113248560
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 64511025
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39861861
N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55580286
N-[(2S)-2-(dimethylamino)-4-methylpentyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 95593417
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60827139
N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide
CID 113340602
2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265074
N-(2-hydroxy-4-methylpentyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103770748
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 134005900) is N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N(C)CC(C)C.
What is the InChIKey of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GAOFUIPJWILXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)7-15(6)13(16)11-10(5)14-17-12(11)9(3)4/h8-9H,7H2,1-6H3.
What are the key properties of N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 134005900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).