5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H18N2O3S — CID 90610768

IUPAC5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)C2CCOCC2)no1
InChIInChI=1S/C15H18N2O3S/c1-11-9-14(16-20-11)15(18)17(10-13-3-2-8-21-13)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLSVSJVDJCWTDHH-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.87
Rot. Bonds4

About 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90610768) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90610768
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)C2CCOCC2)no1
InChIInChI=1S/C15H18N2O3S/c1-11-9-14(16-20-11)15(18)17(10-13-3-2-8-21-13)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyLSVSJVDJCWTDHH-UHFFFAOYSA-N
XLogP2.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
CID 73167804
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796132
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 90610596
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 90610643
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90610768) is 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2cccs2)C2CCOCC2)no1.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LSVSJVDJCWTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-9-14(16-20-11)15(18)17(10-13-3-2-8-21-13)12-4-6-19-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90610768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).