[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

C19H20N4O2 — CID 97156212

IUPAC[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)no1
InChIInChI=1S/C19H20N4O2/c1-13-12-17(22-25-13)18-4-2-3-11-23(18)19(24)15-7-5-14(6-8-15)16-9-10-20-21-16/h5-10,12,18H,2-4,11H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyOUTYYROGJCKSBT-SFHVURJKSA-N
MW336.40 g/mol
LogP3.74
Rot. Bonds3

About [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 97156212) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID97156212
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)no1
InChIInChI=1S/C19H20N4O2/c1-13-12-17(22-25-13)18-4-2-3-11-23(18)19(24)15-7-5-14(6-8-15)16-9-10-20-21-16/h5-10,12,18H,2-4,11H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyOUTYYROGJCKSBT-SFHVURJKSA-N
XLogP3.74
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 97156212) is [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)no1.
What is the InChIKey of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is OUTYYROGJCKSBT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-12-17(22-25-13)18-4-2-3-11-23(18)19(24)15-7-5-14(6-8-15)16-9-10-20-21-16/h5-10,12,18H,2-4,11H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97156212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).