N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide

C14H10N2O3 — CID 136600254

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
SMILESO=CNc1ccc(O)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N2O3/c17-8-15-9-5-6-12(18)10(7-9)14-16-11-3-1-2-4-13(11)19-14/h1-8,18H,(H,15,17)
InChIKeyDBFAUKDZAPOMNA-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.77
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide (PubChem CID 136600254) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
PubChem CID136600254
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
SMILESO=CNc1ccc(O)c(-c2nc3ccccc3o2)c1
InChIInChI=1S/C14H10N2O3/c17-8-15-9-5-6-12(18)10(7-9)14-16-11-3-1-2-4-13(11)19-14/h1-8,18H,(H,15,17)
InChIKeyDBFAUKDZAPOMNA-UHFFFAOYSA-N
XLogP2.77
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,2,2-trichloroacetamide
CID 1363966
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-bromobenzamide
CID 2263361
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-tert-butylbenzamide
CID 2263263
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]cyclohexanecarboxamide
CID 670552
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 135645667
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
5-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carbaldehyde
CID 169334915
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364043
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dichloro-4-methoxybenzamide
CID 2279820

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide (CID 136600254) is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide is O=CNc1ccc(O)c(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide?
The InChIKey is DBFAUKDZAPOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-8-15-9-5-6-12(18)10(7-9)14-16-11-3-1-2-4-13(11)19-14/h1-8,18H,(H,15,17).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide?
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide has a molecular weight of 254.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide is sourced from PubChem (CID 136600254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).