3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid

C15H14N2O4 — CID 77070299

IUPAC3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
SMILESCc1noc(NC(=O)c2cccc(C=CC(=O)O)c2)c1C
InChIInChI=1S/C15H14N2O4/c1-9-10(2)17-21-15(9)16-14(20)12-5-3-4-11(8-12)6-7-13(18)19/h3-8H,1-2H3,(H,16,20)(H,18,19)
InChIKeyCGGZKQQRRLPKET-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.64
Rot. Bonds4

About 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid

3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid (PubChem CID 77070299) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
PubChem CID77070299
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid
SMILESCc1noc(NC(=O)c2cccc(C=CC(=O)O)c2)c1C
InChIInChI=1S/C15H14N2O4/c1-9-10(2)17-21-15(9)16-14(20)12-5-3-4-11(8-12)6-7-13(18)19/h3-8H,1-2H3,(H,16,20)(H,18,19)
InChIKeyCGGZKQQRRLPKET-UHFFFAOYSA-N
XLogP2.64
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
3-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906670
3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906990
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155910477
3-[3-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 77004222
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-(methylamino)benzamide
CID 65480384
3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
CID 154271010
(E)-3-[3-(2-methylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231050
(E)-3-[3-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231046
(E)-3-[3-(2-methylbutan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 109375188
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
3-[3-(pyridine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76907802

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid (CID 77070299) is 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid is Cc1noc(NC(=O)c2cccc(C=CC(=O)O)c2)c1C.
What is the InChIKey of 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid?
The InChIKey is CGGZKQQRRLPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-10(2)17-21-15(9)16-14(20)12-5-3-4-11(8-12)6-7-13(18)19/h3-8H,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid?
3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 77070299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).