3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C15H19ClN4O2 — CID 124986328

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C15H19ClN4O2/c1-10-9-17-18-15(10)12-4-2-3-7-20(12)14(21)6-5-11-8-13(16)19-22-11/h8-9,12H,2-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyNXVMCQNBSNBXCR-LBPRGKRZSA-N
MW322.80 g/mol
LogP3.05
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 124986328) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID124986328
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1
InChIInChI=1S/C15H19ClN4O2/c1-10-9-17-18-15(10)12-4-2-3-7-20(12)14(21)6-5-11-8-13(16)19-22-11/h8-9,12H,2-7H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyNXVMCQNBSNBXCR-LBPRGKRZSA-N
XLogP3.05
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124953230
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 127247312
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124952381
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110096331
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 124978226
3-(2-fluorophenyl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124950069
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 110105488
1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124941970
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 124986328) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is NXVMCQNBSNBXCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10-9-17-18-15(10)12-4-2-3-7-20(12)14(21)6-5-11-8-13(16)19-22-11/h8-9,12H,2-7H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 322.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124986328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).