N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H15ClN2O2 — CID 2815876

IUPACN-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H15ClN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21)
InChIKeyIXGHFFIUANXKNX-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2815876) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2815876
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C17H15ClN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21)
InChIKeyIXGHFFIUANXKNX-UHFFFAOYSA-N
XLogP3.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958467
3-(2,6-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958543
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958545
3-(3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681946
3-(2,6-dichlorophenyl)-N-[3-(trifluoromethyl)benzyl]-2-isoxazoline-5-carboxamide
CID 11958503
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681853
3-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681854
3-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681855
3-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681931
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640775
3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640776
3-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 23640780

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2815876) is N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccccc1)C1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is IXGHFFIUANXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-8-6-13(7-9-14)15-10-16(22-20-15)17(21)19-11-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,19,21).
What are the key properties of N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2815876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).