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

C19H14N2O4 — CID 135416435

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3o2)c1O
InChIInChI=1S/C19H14N2O4/c1-11-9-12(20-18(23)16-7-4-8-24-16)10-13(17(11)22)19-21-14-5-2-3-6-15(14)25-19/h2-10,22H,1H3,(H,20,23)
InChIKeyQXMDYJJBABPJOD-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.35
Rot. Bonds3

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

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide (PubChem CID 135416435) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
PubChem CID135416435
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3o2)c1O
InChIInChI=1S/C19H14N2O4/c1-11-9-12(20-18(23)16-7-4-8-24-16)10-13(17(11)22)19-21-14-5-2-3-6-15(14)25-19/h2-10,22H,1H3,(H,20,23)
InChIKeyQXMDYJJBABPJOD-UHFFFAOYSA-N
XLogP4.35
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 135477395
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-(3-methylphenoxy)acetamide
CID 135645547
N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 779025
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
CID 1362861
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 921718
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-methoxybenzamide
CID 135645647
N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
CID 135718037
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 1497032
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methylbenzamide
CID 739837
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1016768
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide (CID 135416435) is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)cc(-c2nc3ccccc3o2)c1O.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide?
The InChIKey is QXMDYJJBABPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-11-9-12(20-18(23)16-7-4-8-24-16)10-13(17(11)22)19-21-14-5-2-3-6-15(14)25-19/h2-10,22H,1H3,(H,20,23).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 135416435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).