[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C17H18N4O3 — CID 95286307

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)c1
InChIInChI=1S/C17H18N4O3/c1-12-9-18-21(10-12)13-4-2-6-20(11-13)17(22)14-8-16(24-19-14)15-5-3-7-23-15/h3,5,7-10,13H,2,4,6,11H2,1H3/t13-/m0/s1
InChIKeyAOMCMKFIEDJNBN-ZDUSSCGKSA-N
MW326.36 g/mol
LogP2.92
Rot. Bonds3

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95286307) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95286307
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)c1
InChIInChI=1S/C17H18N4O3/c1-12-9-18-21(10-12)13-4-2-6-20(11-13)17(22)14-8-16(24-19-14)15-5-3-7-23-15/h3,5,7-10,13H,2,4,6,11H2,1H3/t13-/m0/s1
InChIKeyAOMCMKFIEDJNBN-ZDUSSCGKSA-N
XLogP2.92
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606751
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95382967
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95382851
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95286307) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)c1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is AOMCMKFIEDJNBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12-9-18-21(10-12)13-4-2-6-20(11-13)17(22)14-8-16(24-19-14)15-5-3-7-23-15/h3,5,7-10,13H,2,4,6,11H2,1H3/t13-/m0/s1.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95286307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).