5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide

C13H22N2O2 — CID 78790456

IUPAC5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCC(C)C)no1
InChIInChI=1S/C13H22N2O2/c1-9(2)6-5-7-10(3)14-13(16)12-8-11(4)17-15-12/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyYWXFSZGSIWUJRZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.93
Rot. Bonds6

About 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 78790456) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID78790456
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CCCC(C)C)no1
InChIInChI=1S/C13H22N2O2/c1-9(2)6-5-7-10(3)14-13(16)12-8-11(4)17-15-12/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyYWXFSZGSIWUJRZ-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide (CID 78790456) is 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(C)CCCC(C)C)no1.
What is the InChIKey of 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YWXFSZGSIWUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)6-5-7-10(3)14-13(16)12-8-11(4)17-15-12/h8-10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 78790456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).