N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide

C15H12N2O4 — CID 137133301

IUPACN-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
SMILESO=CNc1cc(-c2nc3cc(CO)ccc3o2)ccc1O
InChIInChI=1S/C15H12N2O4/c18-7-9-1-4-14-12(5-9)17-15(21-14)10-2-3-13(20)11(6-10)16-8-19/h1-6,8,18,20H,7H2,(H,16,19)
InChIKeyNXTIGUDLHSBZPG-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.26
Rot. Bonds4

About N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide

N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide (PubChem CID 137133301) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
PubChem CID137133301
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide
SMILESO=CNc1cc(-c2nc3cc(CO)ccc3o2)ccc1O
InChIInChI=1S/C15H12N2O4/c18-7-9-1-4-14-12(5-9)17-15(21-14)10-2-3-13(20)11(6-10)16-8-19/h1-6,8,18,20H,7H2,(H,16,19)
InChIKeyNXTIGUDLHSBZPG-UHFFFAOYSA-N
XLogP2.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653350
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
[2-(5-bromofuran-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357873
[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357845
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
(2-fluoro-1,3-benzoxazol-5-yl)methanol
CID 131118958
N-[2-bromo-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-chloroacetamide
CID 91683717
2-[2-[4-[[4-[5-(carboxymethyl)-1,3-benzoxazol-2-yl]-2-fluorophenyl]carbamoylamino]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid
CID 135341099

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide?
The IUPAC name of N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide (CID 137133301) is N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide.
What is the SMILES notation for N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide?
The canonical SMILES for N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide is O=CNc1cc(-c2nc3cc(CO)ccc3o2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide?
The InChIKey is NXTIGUDLHSBZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-7-9-1-4-14-12(5-9)17-15(21-14)10-2-3-13(20)11(6-10)16-8-19/h1-6,8,18,20H,7H2,(H,16,19).
What are the key properties of N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide?
N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide has a molecular weight of 284.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]formamide is sourced from PubChem (CID 137133301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).