N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide

C15H13N3O2 — CID 115161080

IUPACN-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc3ncoc3c2)cc1
InChIInChI=1S/C15H13N3O2/c1-16-11-4-2-10(3-5-11)15(19)18-12-6-7-13-14(8-12)20-9-17-13/h2-9,16H,1H3,(H,18,19)
InChIKeyOVTLYBUXVPZTPI-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.12
Rot. Bonds3

About N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide

N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide (PubChem CID 115161080) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
PubChem CID115161080
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2ccc3ncoc3c2)cc1
InChIInChI=1S/C15H13N3O2/c1-16-11-4-2-10(3-5-11)15(19)18-12-6-7-13-14(8-12)20-9-17-13/h2-9,16H,1H3,(H,18,19)
InChIKeyOVTLYBUXVPZTPI-UHFFFAOYSA-N
XLogP3.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116039
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
N-(1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
CID 110744615
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide (CID 115161080) is N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2ccc3ncoc3c2)cc1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide?
The InChIKey is OVTLYBUXVPZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-16-11-4-2-10(3-5-11)15(19)18-12-6-7-13-14(8-12)20-9-17-13/h2-9,16H,1H3,(H,18,19).
What are the key properties of N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide?
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide has a molecular weight of 267.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide is sourced from PubChem (CID 115161080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).