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

C12H14N2O2S — CID 47344953

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-5-17-11(7)12(15)13-6-10-14-8(2)9(3)16-10/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeySPYHVUPMVBZLHP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 47344953) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID47344953
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H14N2O2S/c1-7-4-5-17-11(7)12(15)13-6-10-14-8(2)9(3)16-10/h4-5H,6H2,1-3H3,(H,13,15)
InChIKeySPYHVUPMVBZLHP-UHFFFAOYSA-N
XLogP2.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
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]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide
CID 166263123
7-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106377815
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
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]-3-hydroxypyridine-2-carboxamide
CID 113229810

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide (CID 47344953) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is SPYHVUPMVBZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-4-5-17-11(7)12(15)13-6-10-14-8(2)9(3)16-10/h4-5H,6H2,1-3H3,(H,13,15).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.59, 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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 47344953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).