N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C16H15N3O3 — CID 4300146

IUPACN-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccnc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C16H15N3O3/c1-11-6-8-17-14(10-11)18-15(20)7-9-19-12-4-2-3-5-13(12)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,17,18,20)
InChIKeyPQBOGKGZUYJBOC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.33
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 4300146) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID4300146
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccnc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C16H15N3O3/c1-11-6-8-17-14(10-11)18-15(20)7-9-19-12-4-2-3-5-13(12)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,17,18,20)
InChIKeyPQBOGKGZUYJBOC-UHFFFAOYSA-N
XLogP2.33
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 4300146) is N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1ccnc(NC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is PQBOGKGZUYJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11-6-8-17-14(10-11)18-15(20)7-9-19-12-4-2-3-5-13(12)22-16(19)21/h2-6,8,10H,7,9H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 297.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 4300146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).