1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C19H22N2O4 — CID 120540320

IUPAC1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H22N2O4/c1-13-15(25-16(20-13)14-9-5-3-6-10-14)17(22)21(2)19(18(23)24)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyLEQPZYATZLBZAR-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.51
Rot. Bonds4

About 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120540320) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120540320
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(C)C1(C(=O)O)CCCCC1
InChIInChI=1S/C19H22N2O4/c1-13-15(25-16(20-13)14-9-5-3-6-10-14)17(22)21(2)19(18(23)24)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,23,24)
InChIKeyLEQPZYATZLBZAR-UHFFFAOYSA-N
XLogP3.51
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120540320) is 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nc(-c2ccccc2)oc1C(=O)N(C)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LEQPZYATZLBZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-15(25-16(20-13)14-9-5-3-6-10-14)17(22)21(2)19(18(23)24)11-7-4-8-12-19/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,23,24).
What are the key properties of 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120540320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).