N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide

C20H15N3O2 — CID 108795166

IUPACN-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C20H15N3O2/c24-20(14-6-11-19-18(12-14)21-13-25-19)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13,22H,(H,23,24)
InChIKeyDFCFIQNRRGUCSX-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.82
Rot. Bonds4

About N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide

N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 108795166) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID108795166
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C20H15N3O2/c24-20(14-6-11-19-18(12-14)21-13-25-19)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13,22H,(H,23,24)
InChIKeyDFCFIQNRRGUCSX-UHFFFAOYSA-N
XLogP4.82
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide (CID 108795166) is N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2ocnc2c1.
What is the InChIKey of N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is DFCFIQNRRGUCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(14-6-11-19-18(12-14)21-13-25-19)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13,22H,(H,23,24).
What are the key properties of N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide?
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108795166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).