1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile

C16H14F3N3O2S — CID 25211608

IUPAC1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1c(-c2ccc(C(=O)N3CCC(C#N)CC3)s2)noc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2S/c1-9-13(21-24-14(9)16(17,18)19)11-2-3-12(25-11)15(23)22-6-4-10(8-20)5-7-22/h2-3,10H,4-7H2,1H3
InChIKeyZVHVXPKTOZCJJW-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.11
Rot. Bonds2

About 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile

1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile (PubChem CID 25211608) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile
PubChem CID25211608
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1c(-c2ccc(C(=O)N3CCC(C#N)CC3)s2)noc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2S/c1-9-13(21-24-14(9)16(17,18)19)11-2-3-12(25-11)15(23)22-6-4-10(8-20)5-7-22/h2-3,10H,4-7H2,1H3
InChIKeyZVHVXPKTOZCJJW-UHFFFAOYSA-N
XLogP4.11
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile (CID 25211608) is 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile is Cc1c(-c2ccc(C(=O)N3CCC(C#N)CC3)s2)noc1C(F)(F)F.
What is the InChIKey of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile?
The InChIKey is ZVHVXPKTOZCJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-9-13(21-24-14(9)16(17,18)19)11-2-3-12(25-11)15(23)22-6-4-10(8-20)5-7-22/h2-3,10H,4-7H2,1H3.
What are the key properties of 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile?
1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile has a molecular weight of 369.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 25211608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).