2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide

C20H19N5O2 — CID 42526249

IUPAC2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2o1
InChIInChI=1S/C20H19N5O2/c1-13(2)20-24-16-9-14(7-8-18(16)27-20)19(26)22-10-15-5-3-4-6-17(15)25-12-21-11-23-25/h3-9,11-13H,10H2,1-2H3,(H,22,26)
InChIKeyODLRFKANWKSTHH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.46
Rot. Bonds5

About 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide

2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 42526249) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID42526249
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2o1
InChIInChI=1S/C20H19N5O2/c1-13(2)20-24-16-9-14(7-8-18(16)27-20)19(26)22-10-15-5-3-4-6-17(15)25-12-21-11-23-25/h3-9,11-13H,10H2,1-2H3,(H,22,26)
InChIKeyODLRFKANWKSTHH-UHFFFAOYSA-N
XLogP3.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide with MolForge

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Related Compounds

4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 97136134
3-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56756653
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 72882431
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 53199043
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
methyl 4-[(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)amino]butanoate
CID 26317738
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N-[(2-fluorophenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 30425300
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide (CID 42526249) is 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide is CC(C)c1nc2cc(C(=O)NCc3ccccc3-n3cncn3)ccc2o1.
What is the InChIKey of 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is ODLRFKANWKSTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(2)20-24-16-9-14(7-8-18(16)27-20)19(26)22-10-15-5-3-4-6-17(15)25-12-21-11-23-25/h3-9,11-13H,10H2,1-2H3,(H,22,26).
What are the key properties of 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide?
2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42526249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).