N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide

C12H16N2O2S — CID 125136014

IUPACN-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
SMILESC[C@H]1CC(NC(=O)CCCc2cccs2)=NO1
InChIInChI=1S/C12H16N2O2S/c1-9-8-11(14-16-9)13-12(15)6-2-4-10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeySJEXQSOGWXBSCV-VIFPVBQESA-N
MW252.34 g/mol
LogP2.31
Rot. Bonds4

About N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide

N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide (PubChem CID 125136014) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
PubChem CID125136014
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide
SMILESC[C@H]1CC(NC(=O)CCCc2cccs2)=NO1
InChIInChI=1S/C12H16N2O2S/c1-9-8-11(14-16-9)13-12(15)6-2-4-10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeySJEXQSOGWXBSCV-VIFPVBQESA-N
XLogP2.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide 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-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(5-amino-4-methyl-2-pyridinyl)-4-thiophen-2-ylbutanamide
CID 61293337

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide (CID 125136014) is N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide is C[C@H]1CC(NC(=O)CCCc2cccs2)=NO1.
What is the InChIKey of N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is SJEXQSOGWXBSCV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-8-11(14-16-9)13-12(15)6-2-4-10-5-3-7-17-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide?
N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 252.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 125136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).