N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide

C22H19N3O3 — CID 3239583

IUPACN-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N3O3/c26-21(13-15-24-18-10-4-5-11-19(18)28-22(24)27)25(20-12-6-7-14-23-20)16-17-8-2-1-3-9-17/h1-12,14H,13,15-16H2
InChIKeyMISLIQSHAZNECS-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.61
Rot. Bonds6

About N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide

N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide (PubChem CID 3239583) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide
PubChem CID3239583
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N3O3/c26-21(13-15-24-18-10-4-5-11-19(18)28-22(24)27)25(20-12-6-7-14-23-20)16-17-8-2-1-3-9-17/h1-12,14H,13,15-16H2
InChIKeyMISLIQSHAZNECS-UHFFFAOYSA-N
XLogP3.61
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide (CID 3239583) is N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide is O=C(CCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is MISLIQSHAZNECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-21(13-15-24-18-10-4-5-11-19(18)28-22(24)27)25(20-12-6-7-14-23-20)16-17-8-2-1-3-9-17/h1-12,14H,13,15-16H2.
What are the key properties of N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide?
N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 373.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3239583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).