N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide

C11H12N2O2S — CID 47345026

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1nc(CNC(=O)c2ccsc2)oc1C
InChIInChI=1S/C11H12N2O2S/c1-7-8(2)15-10(13-7)5-12-11(14)9-3-4-16-6-9/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyPMGLSBKUWHJFKA-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.28
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 47345026) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID47345026
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCc1nc(CNC(=O)c2ccsc2)oc1C
InChIInChI=1S/C11H12N2O2S/c1-7-8(2)15-10(13-7)5-12-11(14)9-3-4-16-6-9/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyPMGLSBKUWHJFKA-UHFFFAOYSA-N
XLogP2.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-sulfanylbenzamide
CID 106377771
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376208
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 87043723
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377408
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106377305
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide (CID 47345026) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide is Cc1nc(CNC(=O)c2ccsc2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is PMGLSBKUWHJFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-8(2)15-10(13-7)5-12-11(14)9-3-4-16-6-9/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47345026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).