5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide

C17H18N2O2 — CID 807635

IUPAC5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H18N2O2/c1-4-11-19(12-5-2)17(20)15-13(3)21-18-16(15)14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3
InChIKeySIEDHUALASZBBM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.46
Rot. Bonds6

About 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide (PubChem CID 807635) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
PubChem CID807635
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C17H18N2O2/c1-4-11-19(12-5-2)17(20)15-13(3)21-18-16(15)14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3
InChIKeySIEDHUALASZBBM-UHFFFAOYSA-N
XLogP3.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-cyanoethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2210713
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 39858071
N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808
N,5-dimethyl-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 31619587
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide (CID 807635) is 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide is C=CCN(CC=C)C(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide?
The InChIKey is SIEDHUALASZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-11-19(12-5-2)17(20)15-13(3)21-18-16(15)14-9-7-6-8-10-14/h4-10H,1-2,11-12H2,3H3.
What are the key properties of 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N,N-bis(prop-2-enyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 807635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).