2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O4 — CID 61295040

IUPAC2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oncc1C(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)15-11(16)10-7-14-19-9(10)2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVUYXDYSBSMQMNK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61295040) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61295040
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1oncc1C(=O)NC1(C(=O)O)CCCCC1C
InChIInChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)15-11(16)10-7-14-19-9(10)2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVUYXDYSBSMQMNK-UHFFFAOYSA-N
XLogP1.75
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(5-Methyl-1,2-oxazole-4-carbonyl)amino]octanoic acid
CID 15007132
6-{[(5-Methylisoxazol-4-YL)carbonyl]amino}hexanoic acid
CID 15007139
7-[(5-Methyl-1,2-oxazole-4-carbonyl)amino]heptanoic acid
CID 15007141
Methyl 4-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 53752325
3-Methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 16773389
1-(5-Methyl-1,2-oxazole-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 16775563
4-Methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 16778021
1-[(5-Methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24699032
(2S,3S)-3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 29903583
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053508
1-[(5-Methyl-1,2-oxazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61295040) is 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1oncc1C(=O)NC1(C(=O)O)CCCCC1C.
What is the InChIKey of 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VUYXDYSBSMQMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-5-3-4-6-13(8,12(17)18)15-11(16)10-7-14-19-9(10)2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61295040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).