N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide

C14H11N3O3 — CID 115116039

IUPACN-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1ccnc(CO)c1
InChIInChI=1S/C14H11N3O3/c18-7-11-5-9(3-4-15-11)14(19)17-10-1-2-12-13(6-10)20-8-16-12/h1-6,8,18H,7H2,(H,17,19)
InChIKeyHNRASEURHSROJF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.97
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide

N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide (PubChem CID 115116039) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
PubChem CID115116039
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1ccnc(CO)c1
InChIInChI=1S/C14H11N3O3/c18-7-11-5-9(3-4-15-11)14(19)17-10-1-2-12-13(6-10)20-8-16-12/h1-6,8,18H,7H2,(H,17,19)
InChIKeyHNRASEURHSROJF-UHFFFAOYSA-N
XLogP1.97
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(1,3-benzoxazol-6-yl)-4-cyanopyridine-2-carboxamide
CID 115116784
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
3-amino-N-(1,3-benzoxazol-6-yl)-3-methylbutanamide
CID 115154852
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide (CID 115116039) is N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide is O=C(Nc1ccc2ncoc2c1)c1ccnc(CO)c1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide?
The InChIKey is HNRASEURHSROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-7-11-5-9(3-4-15-11)14(19)17-10-1-2-12-13(6-10)20-8-16-12/h1-6,8,18H,7H2,(H,17,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide?
N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).