(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C16H23N5O2 — CID 95898562

IUPAC(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1noc(C)c1CN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)23-18-11)10-19(3)15-6-5-7-21(16(15)22)13-8-17-20(4)9-13/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1
InChIKeyFDZSFLZXYRNHOA-HNNXBMFYSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds4

About (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 95898562) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID95898562
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1noc(C)c1CN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C16H23N5O2/c1-11-14(12(2)23-18-11)10-19(3)15-6-5-7-21(16(15)22)13-8-17-20(4)9-13/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1
InChIKeyFDZSFLZXYRNHOA-HNNXBMFYSA-N
XLogP1.65
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 95898562) is (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cc1noc(C)c1CN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O.
What is the InChIKey of (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is FDZSFLZXYRNHOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-14(12(2)23-18-11)10-19(3)15-6-5-7-21(16(15)22)13-8-17-20(4)9-13/h8-9,15H,5-7,10H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 95898562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).