N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

C19H15N3O2S — CID 59736937

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2o1
InChIInChI=1S/C19H15N3O2S/c1-11-21-15-7-5-13(10-17(15)24-11)19(23)22-16-9-12(4-6-14(16)20)18-3-2-8-25-18/h2-10H,20H2,1H3,(H,22,23)
InChIKeyQVZJJFIXBDPFIE-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.70
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 59736937) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID59736937
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2o1
InChIInChI=1S/C19H15N3O2S/c1-11-21-15-7-5-13(10-17(15)24-11)19(23)22-16-9-12(4-6-14(16)20)18-3-2-8-25-18/h2-10H,20H2,1H3,(H,22,23)
InChIKeyQVZJJFIXBDPFIE-UHFFFAOYSA-N
XLogP4.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]benzamide
CID 24947475
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
CID 58283988
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-hydroxy-2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24783185
[3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]-2,4-dimethylpentan-3-yl]-oxophosphanium
CID 154074694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide (CID 59736937) is N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2o1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is QVZJJFIXBDPFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-21-15-7-5-13(10-17(15)24-11)19(23)22-16-9-12(4-6-14(16)20)18-3-2-8-25-18/h2-10H,20H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 349.42 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-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 59736937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).