3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C18H20N2O4 — CID 120551453

IUPAC3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ncco2)cc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-11-5-6-13(17-19-7-8-24-17)10-15(11)20-16(21)12-3-2-4-14(9-12)18(22)23/h5-8,10,12,14H,2-4,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyBQAXMEJZNRALHU-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.48
Rot. Bonds4

About 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120551453) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120551453
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ncco2)cc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-11-5-6-13(17-19-7-8-24-17)10-15(11)20-16(21)12-3-2-4-14(9-12)18(22)23/h5-8,10,12,14H,2-4,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyBQAXMEJZNRALHU-UHFFFAOYSA-N
XLogP3.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020
N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20628843
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122088128
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 43706116
1-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 167819469
3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
cis-(1R,3S)-3-[(2-phenylpyrimidin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 146121724

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120551453) is 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(-c2ncco2)cc1NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BQAXMEJZNRALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-6-13(17-19-7-8-24-17)10-15(11)20-16(21)12-3-2-4-14(9-12)18(22)23/h5-8,10,12,14H,2-4,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120551453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).