3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

C18H24N2O3S — CID 90610632

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H24N2O3S/c1-13-17(14(2)23-19-13)5-6-18(21)20(12-16-4-3-11-24-16)15-7-9-22-10-8-15/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyZVRCRCYTMMPPQR-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.49
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 90610632) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID90610632
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H24N2O3S/c1-13-17(14(2)23-19-13)5-6-18(21)20(12-16-4-3-11-24-16)15-7-9-22-10-8-15/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyZVRCRCYTMMPPQR-UHFFFAOYSA-N
XLogP3.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide with MolForge

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Related Compounds

N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
CID 73167804
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 90610632) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ZVRCRCYTMMPPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-17(14(2)23-19-13)5-6-18(21)20(12-16-4-3-11-24-16)15-7-9-22-10-8-15/h3-4,11,15H,5-10,12H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 348.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 90610632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).