N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H20N2O3 — CID 115700378

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-12(2)11-20-9-8-17-16(19)15-10-14(18-21-15)13-6-4-3-5-7-13/h3-7,15H,1,8-11H2,2H3,(H,17,19)
InChIKeyBVBFWXIQJDZNCJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 115700378) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID115700378
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-12(2)11-20-9-8-17-16(19)15-10-14(18-21-15)13-6-4-3-5-7-13/h3-7,15H,1,8-11H2,2H3,(H,17,19)
InChIKeyBVBFWXIQJDZNCJ-UHFFFAOYSA-N
XLogP1.89
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378
(5S)-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7462862
(5S)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503587
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069
3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83288373
N-[2-(1H-imidazol-2-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115649628
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 115700378) is N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is C=C(C)COCCNC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BVBFWXIQJDZNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)11-20-9-8-17-16(19)15-10-14(18-21-15)13-6-4-3-5-7-13/h3-7,15H,1,8-11H2,2H3,(H,17,19).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 115700378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).