N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide

C21H18N2O2S — CID 2279444

IUPACN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-12-10-13(2)19-17(11-12)23-21(25-19)15-6-4-7-16(14(15)3)22-20(24)18-8-5-9-26-18/h4-11H,1-3H3,(H,22,24)
InChIKeyHFXJPHGWOGJYCF-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.73
Rot. Bonds3

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 2279444) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID2279444
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(C)c2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-12-10-13(2)19-17(11-12)23-21(25-19)15-6-4-7-16(14(15)3)22-20(24)18-8-5-9-26-18/h4-11H,1-3H3,(H,22,24)
InChIKeyHFXJPHGWOGJYCF-UHFFFAOYSA-N
XLogP5.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
CID 2210002
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1496962
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 1139375
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1496969
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
CID 2198795
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide;hydrate
CID 21211925
2-(4-chloro-2-methylphenoxy)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 2281645
3,6-dichloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 3894000
3-(3,5-dichloro-2-methoxyphenyl)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]prop-2-enamide
CID 5234591
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 5129401
N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 91634715
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859309

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide (CID 2279444) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide is Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1.
What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is HFXJPHGWOGJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-12-10-13(2)19-17(11-12)23-21(25-19)15-6-4-7-16(14(15)3)22-20(24)18-8-5-9-26-18/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide?
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).