N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide

C15H12N2O3 — CID 70957878

IUPACN-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(CO)ccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-9-10-6-7-13-12(8-10)16-15(20-13)17-14(19)11-4-2-1-3-5-11/h1-8,18H,9H2,(H,16,17,19)
InChIKeySTHMMHPTWFVQOO-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.57
Rot. Bonds3

About N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide

N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide (PubChem CID 70957878) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
PubChem CID70957878
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC NameN-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide
SMILESO=C(Nc1nc2cc(CO)ccc2o1)c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-9-10-6-7-13-12(8-10)16-15(20-13)17-14(19)11-4-2-1-3-5-11/h1-8,18H,9H2,(H,16,17,19)
InChIKeySTHMMHPTWFVQOO-UHFFFAOYSA-N
XLogP2.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]-1-phenylpropan-1-one
CID 82357898
N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 10400687
5-(hydroxymethyl)-1,3-benzoxazole-2-carbonyl chloride
CID 131030463
4-bromo-N-(5-cyano-1,3-benzoxazol-2-yl)benzamide
CID 150073448
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
N-(5-methyl-1,3-benzoxazol-2-yl)pyridine-2-carboxamide
CID 170421222
N-[7-fluoro-6-(2-oxopropyl)-1,3-benzoxazol-2-yl]benzamide
CID 71220947
N-[3-[(1,3-benzoxazol-2-ylamino)methyl]phenyl]pyridine-4-carboxamide
CID 51120966
2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide (CID 70957878) is N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide is O=C(Nc1nc2cc(CO)ccc2o1)c1ccccc1.
What is the InChIKey of N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide?
The InChIKey is STHMMHPTWFVQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-9-10-6-7-13-12(8-10)16-15(20-13)17-14(19)11-4-2-1-3-5-11/h1-8,18H,9H2,(H,16,17,19).
What are the key properties of N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide?
N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide has a molecular weight of 268.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]benzamide is sourced from PubChem (CID 70957878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).