1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

C14H20N2O4 — CID 120540293

IUPAC1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)N(C)C2(C(=O)O)CCCCC2)o1
InChIInChI=1S/C14H20N2O4/c1-9-11(20-10(2)15-9)12(17)16(3)14(13(18)19)7-5-4-6-8-14/h4-8H2,1-3H3,(H,18,19)
InChIKeyUKTRIWVWQASLKB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.15
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120540293) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120540293
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)N(C)C2(C(=O)O)CCCCC2)o1
InChIInChI=1S/C14H20N2O4/c1-9-11(20-10(2)15-9)12(17)16(3)14(13(18)19)7-5-4-6-8-14/h4-8H2,1-3H3,(H,18,19)
InChIKeyUKTRIWVWQASLKB-UHFFFAOYSA-N
XLogP2.15
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540320
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539698
1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120977124
1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120540042
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361778
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539861
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539320
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
CID 114951604
N,2,4-trimethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110684871
1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (CID 120540293) is 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is Cc1nc(C)c(C(=O)N(C)C2(C(=O)O)CCCCC2)o1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UKTRIWVWQASLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-11(20-10(2)15-9)12(17)16(3)14(13(18)19)7-5-4-6-8-14/h4-8H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).