N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide

C27H25N5O4 — CID 43845104

IUPACN-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C27H25N5O4/c1-4-8-23-25(27(33)28-22-14-12-19(34-2)16-24(22)35-3)29-31-32(23)18-11-13-21-20(15-18)26(36-30-21)17-9-6-5-7-10-17/h5-7,9-16H,4,8H2,1-3H3,(H,28,33)
InChIKeyHHBFSFNXHYVKGX-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.30
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide (PubChem CID 43845104) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
PubChem CID43845104
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C27H25N5O4/c1-4-8-23-25(27(33)28-22-14-12-19(34-2)16-24(22)35-3)29-31-32(23)18-11-13-21-20(15-18)26(36-30-21)17-9-6-5-7-10-17/h5-7,9-16H,4,8H2,1-3H3,(H,28,33)
InChIKeyHHBFSFNXHYVKGX-UHFFFAOYSA-N
XLogP5.30
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
CID 43845089
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
5-ethyl-N-(4-methylphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 43836988
N-(4-butylphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 17015341
N-(4-fluorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648933
5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015861
N-(3-chlorophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxamide
CID 16648940
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(2-phenylethyl)triazole-4-carboxamide
CID 17015386
5-amino-N-(2,4-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262300
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-propyltriazole-4-carboxamide
CID 50749521

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide (CID 43845104) is N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(OC)cc2OC)nnn1-c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide?
The InChIKey is HHBFSFNXHYVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-4-8-23-25(27(33)28-22-14-12-19(34-2)16-24(22)35-3)29-31-32(23)18-11-13-21-20(15-18)26(36-30-21)17-9-6-5-7-10-17/h5-7,9-16H,4,8H2,1-3H3,(H,28,33).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide is sourced from PubChem (CID 43845104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).