2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

C19H17N5O2 — CID 97244364

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(14-6-8-15(9-7-14)24-11-10-20-23-24)21-19(25)12-17-16-4-2-3-5-18(16)26-22-17/h2-11,13H,12H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyVIFMHSAJKLDEPT-ZDUSSCGKSA-N
MW347.38 g/mol
LogP2.83
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 97244364) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID97244364
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C19H17N5O2/c1-13(14-6-8-15(9-7-14)24-11-10-20-23-24)21-19(25)12-17-16-4-2-3-5-18(16)26-22-17/h2-11,13H,12H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyVIFMHSAJKLDEPT-ZDUSSCGKSA-N
XLogP2.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide 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

2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 84948325
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(2-bromophenyl)ethyl]acetamide
CID 9152218
2-(5-methyl-1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647250
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide (CID 97244364) is 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is VIFMHSAJKLDEPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13(14-6-8-15(9-7-14)24-11-10-20-23-24)21-19(25)12-17-16-4-2-3-5-18(16)26-22-17/h2-11,13H,12H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 97244364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).