N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C17H19N3O3S — CID 17174182

IUPACN-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)no1
InChIInChI=1S/C17H19N3O3S/c1-9-8-12(20-23-9)15(21)19-17-14(16(22)18-10-6-7-10)11-4-2-3-5-13(11)24-17/h8,10H,2-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyLAVLRCPLBXOJPV-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.07
Rot. Bonds4

About N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 17174182) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID17174182
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)no1
InChIInChI=1S/C17H19N3O3S/c1-9-8-12(20-23-9)15(21)19-17-14(16(22)18-10-6-7-10)11-4-2-3-5-13(11)24-17/h8,10H,2-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyLAVLRCPLBXOJPV-UHFFFAOYSA-N
XLogP3.07
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-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

methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 16953774
ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5307410
5-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 17377132
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 17253277
N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75368916
(2R)-N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 42546248
1-acetyl-N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]piperidine-4-carboxamide
CID 6469353
N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
CID 17172854
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
(1R,2S,3S,4R)-3-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124715487
3-[[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 17377131
2-bromo-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7463724

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 17174182) is N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCCC3)no1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LAVLRCPLBXOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-9-8-12(20-23-9)15(21)19-17-14(16(22)18-10-6-7-10)11-4-2-3-5-13(11)24-17/h8,10H,2-7H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17174182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).