N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H17FN4O2S — CID 55718514

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H17FN4O2S/c1-12-16(24-20(27-12)15-7-4-10-28-15)19(26)23-17(18-22-8-9-25(18)2)13-5-3-6-14(21)11-13/h3-11,17H,1-2H3,(H,23,26)
InChIKeyRWNDQORKGYQNRN-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.10
Rot. Bonds5

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55718514) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55718514
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cccs2)nc1C(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C20H17FN4O2S/c1-12-16(24-20(27-12)15-7-4-10-28-15)19(26)23-17(18-22-8-9-25(18)2)13-5-3-6-14(21)11-13/h3-11,17H,1-2H3,(H,23,26)
InChIKeyRWNDQORKGYQNRN-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55718514) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is Cc1oc(-c2cccs2)nc1C(=O)NC(c1cccc(F)c1)c1nccn1C.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is RWNDQORKGYQNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-16(24-20(27-12)15-7-4-10-28-15)19(26)23-17(18-22-8-9-25(18)2)13-5-3-6-14(21)11-13/h3-11,17H,1-2H3,(H,23,26).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55718514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).