N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

C30H24N4O3S — CID 46300005

IUPACN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1sc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N4O3S/c35-27(21-12-5-2-6-13-21)32-29-26(20-10-3-1-4-11-20)31-30(38-29)33-28(36)24-18-25(37-34-24)23-16-15-19-9-7-8-14-22(19)17-23/h1-6,10-13,15-18H,7-9,14H2,(H,32,35)(H,31,33,36)
InChIKeyWEQIDZVHLQPQMC-UHFFFAOYSA-N
MW520.61 g/mol
LogP6.85
Rot. Bonds6

About N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide

N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 46300005) has the molecular formula C30H24N4O3S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID46300005
Molecular FormulaC30H24N4O3S
Molecular Weight520.61 g/mol
Exact Mass520.16
IUPAC NameN-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1sc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N4O3S/c35-27(21-12-5-2-6-13-21)32-29-26(20-10-3-1-4-11-20)31-30(38-29)33-28(36)24-18-25(37-34-24)23-16-15-19-9-7-8-14-22(19)17-23/h1-6,10-13,15-18H,7-9,14H2,(H,32,35)(H,31,33,36)
InChIKeyWEQIDZVHLQPQMC-UHFFFAOYSA-N
XLogP6.85
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-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-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 163347634
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
N-[[5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
CID 19088762
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 171703739
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 139582756
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989111

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide (CID 46300005) is N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1sc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WEQIDZVHLQPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3S/c35-27(21-12-5-2-6-13-21)32-29-26(20-10-3-1-4-11-20)31-30(38-29)33-28(36)24-18-25(37-34-24)23-16-15-19-9-7-8-14-22(19)17-23/h1-6,10-13,15-18H,7-9,14H2,(H,32,35)(H,31,33,36).
What are the key properties of N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide?
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 6.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46300005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).