N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide

C18H11ClN2O4 — CID 1362861

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1
InChIInChI=1S/C18H11ClN2O4/c19-10-3-6-15-13(8-10)21-18(25-15)12-9-11(4-5-14(12)22)20-17(23)16-2-1-7-24-16/h1-9,22H,(H,20,23)
InChIKeyCZJPSXUQCLRBJH-UHFFFAOYSA-N
MW354.75 g/mol
LogP4.70
Rot. Bonds3

About N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide (PubChem CID 1362861) has the molecular formula C18H11ClN2O4 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
PubChem CID1362861
Molecular FormulaC18H11ClN2O4
Molecular Weight354.75 g/mol
Exact Mass354.04
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1
InChIInChI=1S/C18H11ClN2O4/c19-10-3-6-15-13(8-10)21-18(25-15)12-9-11(4-5-14(12)22)20-17(23)16-2-1-7-24-16/h1-9,22H,(H,20,23)
InChIKeyCZJPSXUQCLRBJH-UHFFFAOYSA-N
XLogP4.70
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
CID 3131494
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
5-(2,4-dichlorophenyl)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 135609226
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1016768
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
CID 135416435
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 135718121
3-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-methylbenzamide
CID 135718120
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide (CID 1362861) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide is O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The InChIKey is CZJPSXUQCLRBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O4/c19-10-3-6-15-13(8-10)21-18(25-15)12-9-11(4-5-14(12)22)20-17(23)16-2-1-7-24-16/h1-9,22H,(H,20,23).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide has a molecular weight of 354.75 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 1362861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).