N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide

C22H19N3O2 — CID 110609707

IUPACN-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide
SMILESCc1nc2cccc(NC(=O)C(Cc3ccncc3)c3ccccc3)c2o1
InChIInChI=1S/C22H19N3O2/c1-15-24-19-8-5-9-20(21(19)27-15)25-22(26)18(17-6-3-2-4-7-17)14-16-10-12-23-13-11-16/h2-13,18H,14H2,1H3,(H,25,26)
InChIKeyPWNRABYGFNAIHE-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.50
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide

N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide (PubChem CID 110609707) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide
PubChem CID110609707
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide
SMILESCc1nc2cccc(NC(=O)C(Cc3ccncc3)c3ccccc3)c2o1
InChIInChI=1S/C22H19N3O2/c1-15-24-19-8-5-9-20(21(19)27-15)25-22(26)18(17-6-3-2-4-7-17)14-16-10-12-23-13-11-16/h2-13,18H,14H2,1H3,(H,25,26)
InChIKeyPWNRABYGFNAIHE-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide (CID 110609707) is N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide is Cc1nc2cccc(NC(=O)C(Cc3ccncc3)c3ccccc3)c2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide?
The InChIKey is PWNRABYGFNAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-24-19-8-5-9-20(21(19)27-15)25-22(26)18(17-6-3-2-4-7-17)14-16-10-12-23-13-11-16/h2-13,18H,14H2,1H3,(H,25,26).
What are the key properties of N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide?
N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-7-yl)-2-phenyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110609707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).