N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide

C21H17N3O3 — CID 110608109

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-20(23-16-9-10-18-19(13-16)27-21(26)24-18)17(14-6-2-1-3-7-14)12-15-8-4-5-11-22-15/h1-11,13,17H,12H2,(H,23,25)(H,24,26)
InChIKeyVWPYHXOMDRAVRZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.48
Rot. Bonds5

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 110608109) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
PubChem CID110608109
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-20(23-16-9-10-18-19(13-16)27-21(26)24-18)17(14-6-2-1-3-7-14)12-15-8-4-5-11-22-15/h1-11,13,17H,12H2,(H,23,25)(H,24,26)
InChIKeyVWPYHXOMDRAVRZ-UHFFFAOYSA-N
XLogP3.48
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110607882
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
3-(furan-2-yl)-2-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110411098
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
2-phenyl-3-pyridin-2-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 110628941
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide (CID 110608109) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)C(Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is VWPYHXOMDRAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(23-16-9-10-18-19(13-16)27-21(26)24-18)17(14-6-2-1-3-7-14)12-15-8-4-5-11-22-15/h1-11,13,17H,12H2,(H,23,25)(H,24,26).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 359.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110608109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).