N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide

C19H23N3O3S — CID 154864633

IUPACN-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CC2)c1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O
InChIInChI=1S/C19H23N3O3S/c1-10-14(16(22-25-10)12-7-8-12)18(24)21-19-15(17(20)23)13(9-26-19)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3,(H2,20,23)(H,21,24)
InChIKeyKVASTLBYVWCQDM-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.32
Rot. Bonds5

About N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide

N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 154864633) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID154864633
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C2CC2)c1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O
InChIInChI=1S/C19H23N3O3S/c1-10-14(16(22-25-10)12-7-8-12)18(24)21-19-15(17(20)23)13(9-26-19)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3,(H2,20,23)(H,21,24)
InChIKeyKVASTLBYVWCQDM-UHFFFAOYSA-N
XLogP4.32
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

ethyl 2-(2-bromopropanoylamino)-4-cyclopropylthiophene-3-carboxylate
CID 114014241
benzyl 3-[(3-cyclopropyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 126815120
ethyl 4-cyclopropyl-2-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxylate
CID 78780003
methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate
CID 71858977
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
2-benzamido-4-cyclopropylthiophene-3-carboxylic acid
CID 139402341
methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate
CID 139391544
2-[2-(3-cyclohexyl-5-methyl-1,2-oxazole-4-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl]acetamide
CID 166433967
N-[[1-[(2-chloroacetyl)amino]cyclohexyl]methyl]-3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxamide
CID 154874854
ethyl 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 8895695
ethyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 55755588
ethyl 4-cyclopropyl-2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 55630530

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide (CID 154864633) is N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C2CC2)c1C(=O)Nc1scc(C2CCCCC2)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KVASTLBYVWCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-10-14(16(22-25-10)12-7-8-12)18(24)21-19-15(17(20)23)13(9-26-19)11-5-3-2-4-6-11/h9,11-12H,2-8H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-cyclohexylthiophen-2-yl)-3-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).