[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

C22H25FN4O2 — CID 46968410

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC(CCc4ccccc4F)CC3)no2)cnn1C
InChIInChI=1S/C22H25FN4O2/c1-15-18(14-24-26(15)2)21-13-20(25-29-21)22(28)27-11-9-16(10-12-27)7-8-17-5-3-4-6-19(17)23/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyIVENAXPQEACMAP-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.01
Rot. Bonds5

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 46968410) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID46968410
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC(CCc4ccccc4F)CC3)no2)cnn1C
InChIInChI=1S/C22H25FN4O2/c1-15-18(14-24-26(15)2)21-13-20(25-29-21)22(28)27-11-9-16(10-12-27)7-8-17-5-3-4-6-19(17)23/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyIVENAXPQEACMAP-UHFFFAOYSA-N
XLogP4.01
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
4-(cyclopropylmethyl)-1-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56876330
[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46968592
5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 46957710
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 110215183
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70777701
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 157016584
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97110759
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384
5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 46968967

Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 46968410) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is Cc1c(-c2cc(C(=O)N3CCC(CCc4ccccc4F)CC3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is IVENAXPQEACMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-18(14-24-26(15)2)21-13-20(25-29-21)22(28)27-11-9-16(10-12-27)7-8-17-5-3-4-6-19(17)23/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46968410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).