4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide

C20H15N3O2 — CID 721133

IUPAC4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c21-15-9-5-13(6-10-15)19(24)22-16-11-7-14(8-12-16)20-23-17-3-1-2-4-18(17)25-20/h1-12H,21H2,(H,22,24)
InChIKeyRLRSHTJBIQRNDX-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.33
Rot. Bonds3

About 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide

4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 721133) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID721133
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c21-15-9-5-13(6-10-15)19(24)22-16-11-7-14(8-12-16)20-23-17-3-1-2-4-18(17)25-20/h1-12H,21H2,(H,22,24)
InChIKeyRLRSHTJBIQRNDX-UHFFFAOYSA-N
XLogP4.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Flunoxaprofen
CID 68869
BI 99179
CID 51346964
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
Fluorescent brightener 367
CID 78769
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide (CID 721133) is 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is RLRSHTJBIQRNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-15-9-5-13(6-10-15)19(24)22-16-11-7-14(8-12-16)20-23-17-3-1-2-4-18(17)25-20/h1-12H,21H2,(H,22,24).
What are the key properties of 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide?
4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 721133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).