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

C17H22F3N5O2 — CID 155875530

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1noc(C)c1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C17H22F3N5O2/c1-12-14(13(2)27-23-12)8-24-6-3-4-16(10-24,25-7-5-21-11-25)15(26)22-9-17(18,19)20/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,22,26)
InChIKeyAFYSSCDMLQEVNN-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.16
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 155875530) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID155875530
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1noc(C)c1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1
InChIInChI=1S/C17H22F3N5O2/c1-12-14(13(2)27-23-12)8-24-6-3-4-16(10-24,25-7-5-21-11-25)15(26)22-9-17(18,19)20/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,22,26)
InChIKeyAFYSSCDMLQEVNN-UHFFFAOYSA-N
XLogP2.16
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-imidazol-1-yl-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 155874031
4-imidazol-1-yl-1-(3-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155858208
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744022
[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1-fluorocyclopropyl)methanone
CID 131688809
(3aR,7aR)-N-cyclopropyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155868833
N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
CID 171334012
1-amino-N-[[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95211190
2-[(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-N,N-dimethylacetamide
CID 97482371
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
(5R)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491774
3,5-dimethyl-4-[[8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155835984
[(5S)-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97483169

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 155875530) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1noc(C)c1CN1CCCC(C(=O)NCC(F)(F)F)(n2ccnc2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AFYSSCDMLQEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-12-14(13(2)27-23-12)8-24-6-3-4-16(10-24,25-7-5-21-11-25)15(26)22-9-17(18,19)20/h5,7,11H,3-4,6,8-10H2,1-2H3,(H,22,26).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155875530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).