N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide

C18H15N5O2 — CID 91766494

IUPACN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1ccc(-c2cc(CNC(=O)c3ccc4n[nH]nc4c3)no2)cc1
InChIInChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)17-9-14(22-25-17)10-19-18(24)13-6-7-15-16(8-13)21-23-20-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyRCBUNQLLTDGQHY-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.85
Rot. Bonds4

About N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 91766494) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID91766494
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1ccc(-c2cc(CNC(=O)c3ccc4n[nH]nc4c3)no2)cc1
InChIInChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)17-9-14(22-25-17)10-19-18(24)13-6-7-15-16(8-13)21-23-20-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyRCBUNQLLTDGQHY-UHFFFAOYSA-N
XLogP2.85
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylbenzamide
CID 16866852
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
4-bromo-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866880
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide (CID 91766494) is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide is Cc1ccc(-c2cc(CNC(=O)c3ccc4n[nH]nc4c3)no2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is RCBUNQLLTDGQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-2-4-12(5-3-11)17-9-14(22-25-17)10-19-18(24)13-6-7-15-16(8-13)21-23-20-15/h2-9H,10H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 91766494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).