4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide

C14H12N2O3 — CID 173270000

IUPAC4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2ccccc2/C=C/C=O)n1
InChIInChI=1S/C14H12N2O3/c1-10-9-19-14(15-10)13(18)16-12-7-3-2-5-11(12)6-4-8-17/h2-9H,1H3,(H,16,18)/b6-4+
InChIKeyHIIKELZFAPHFFY-GQCTYLIASA-N
MW256.26 g/mol
LogP2.45
Rot. Bonds4

About 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide

4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 173270000) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID173270000
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCc1coc(C(=O)Nc2ccccc2/C=C/C=O)n1
InChIInChI=1S/C14H12N2O3/c1-10-9-19-14(15-10)13(18)16-12-7-3-2-5-11(12)6-4-8-17/h2-9H,1H3,(H,16,18)/b6-4+
InChIKeyHIIKELZFAPHFFY-GQCTYLIASA-N
XLogP2.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]acetamide
CID 173320623
[2-(3-oxoprop-1-enyl)phenyl]thiourea
CID 169459353
3-(2-hydrazinylphenyl)prop-2-enal
CID 169458787
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
4-methyl-1,3-oxazole-2-carboxamide
CID 15116130
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
CID 115017229
(2-but-1-enylphenyl)carbamic acid
CID 163942827
3-bromo-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 115669415
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide (CID 173270000) is 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide is Cc1coc(C(=O)Nc2ccccc2/C=C/C=O)n1.
What is the InChIKey of 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is HIIKELZFAPHFFY-GQCTYLIASA-N. The full InChI is InChI=1S/C14H12N2O3/c1-10-9-19-14(15-10)13(18)16-12-7-3-2-5-11(12)6-4-8-17/h2-9H,1H3,(H,16,18)/b6-4+.
What are the key properties of 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide?
4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(E)-3-oxoprop-1-enyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 173270000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).