N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C20H19N5O2 — CID 46885719

IUPACN-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C20H19N5O2/c26-19(18-14-27-20(22-18)16-9-5-2-6-10-16)21-11-17-13-25(24-23-17)12-15-7-3-1-4-8-15/h1-10,13,18H,11-12,14H2,(H,21,26)
InChIKeyDQHGBEKZHNFYTG-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.79
Rot. Bonds6

About N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 46885719) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID46885719
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nn1)C1COC(c2ccccc2)=N1
InChIInChI=1S/C20H19N5O2/c26-19(18-14-27-20(22-18)16-9-5-2-6-10-16)21-11-17-13-25(24-23-17)12-15-7-3-1-4-8-15/h1-10,13,18H,11-12,14H2,(H,21,26)
InChIKeyDQHGBEKZHNFYTG-UHFFFAOYSA-N
XLogP1.79
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 46885719) is N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NCc1cn(Cc2ccccc2)nn1)C1COC(c2ccccc2)=N1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is DQHGBEKZHNFYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19(18-14-27-20(22-18)16-9-5-2-6-10-16)21-11-17-13-25(24-23-17)12-15-7-3-1-4-8-15/h1-10,13,18H,11-12,14H2,(H,21,26).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46885719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).