N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide

C14H11N3O3 — CID 16664610

IUPACN-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
InChIInChI=1S/C14H11N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyBHEYXHBTVHTOAL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.08
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide

N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide (PubChem CID 16664610) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide
PubChem CID16664610
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1
InChIInChI=1S/C14H11N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-7H,1H3,(H,17,19)(H,15,16,18)
InChIKeyBHEYXHBTVHTOAL-UHFFFAOYSA-N
XLogP2.08
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide (CID 16664610) is N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide is Cc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide?
The InChIKey is BHEYXHBTVHTOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-4-2-7-11(15-8)16-13(18)9-5-3-6-10-12(9)17-14(19)20-10/h2-7H,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide?
N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-oxo-3H-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 16664610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).