N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide

C23H21N3O2 — CID 42098920

IUPACN-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C23H21N3O2/c1-26(16-18-8-5-13-24-15-18)23(27)19-10-11-21-20(14-19)25-22(28-21)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,9,12,16H2,1H3
InChIKeyHYOUBKWQJOAGTG-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide

N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 42098920) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID42098920
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1
InChIInChI=1S/C23H21N3O2/c1-26(16-18-8-5-13-24-15-18)23(27)19-10-11-21-20(14-19)25-22(28-21)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,9,12,16H2,1H3
InChIKeyHYOUBKWQJOAGTG-UHFFFAOYSA-N
XLogP4.28
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 25460055
N-methyl-2-(2-phenylethyl)-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25459084
2-butyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42101579
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(2-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 28729704
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide (CID 42098920) is N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide is CN(Cc1cccnc1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1.
What is the InChIKey of N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is HYOUBKWQJOAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-26(16-18-8-5-13-24-15-18)23(27)19-10-11-21-20(14-19)25-22(28-21)12-9-17-6-3-2-4-7-17/h2-8,10-11,13-15H,9,12,16H2,1H3.
What are the key properties of N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide?
N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42098920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).