N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C16H16F2N4O2S — CID 38344334

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H16F2N4O2S/c1-10-11(20-15(24-10)12-4-3-7-25-12)8-14(23)21(2)9-13-19-5-6-22(13)16(17)18/h3-7,16H,8-9H2,1-2H3
InChIKeyYENFBHMRECHHGX-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.50
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 38344334) has the molecular formula C16H16F2N4O2S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID38344334
Molecular FormulaC16H16F2N4O2S
Molecular Weight366.39 g/mol
Exact Mass366.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C16H16F2N4O2S/c1-10-11(20-15(24-10)12-4-3-7-25-12)8-14(23)21(2)9-13-19-5-6-22(13)16(17)18/h3-7,16H,8-9H2,1-2H3
InChIKeyYENFBHMRECHHGX-UHFFFAOYSA-N
XLogP3.50
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-imidazole-2-carboxylate
CID 56750792
5-methyl-2-(5-methyl-2-thienyl)-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
CID 56755102
5-methyl-4-[1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]imidazol-2-yl]-2-thiophen-2-yl-1,3-oxazole
CID 96581036
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035
4-[(5,6-Difluorobenzimidazol-1-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 24246701
4-[[1-(3-Fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 30899973
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36367751
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
CID 37436778
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46542421
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butanamide
CID 47019038
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51125898
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butanamide
CID 52302173

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 38344334) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is YENFBHMRECHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2S/c1-10-11(20-15(24-10)12-4-3-7-25-12)8-14(23)21(2)9-13-19-5-6-22(13)16(17)18/h3-7,16H,8-9H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 366.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 38344334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).