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

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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).