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

C14H20N2O4 — CID 115440980

IUPAC4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-14(6-4-9,13(18)19)8-15-12(17)11-10(2)7-16-20-11/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBOSHFBNRPLCGGP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds4

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

4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115440980) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115440980
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cnoc1C(=O)NCC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-14(6-4-9,13(18)19)8-15-12(17)11-10(2)7-16-20-11/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBOSHFBNRPLCGGP-UHFFFAOYSA-N
XLogP1.99
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334355
4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888
4-methyl-1-[(1,2,5-thiadiazole-3-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 113310364
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
2-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66335551
1-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103400251
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
1-[(4-methyl-1,2-oxazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 66335098
1-[[(2-chlorobenzoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440820
3-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 66334474

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115440980) is 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is Cc1cnoc1C(=O)NCC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BOSHFBNRPLCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-3-5-14(6-4-9,13(18)19)8-15-12(17)11-10(2)7-16-20-11/h7,9H,3-6,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).