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

C19H19ClN4O2 — CID 77085432

IUPAC[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)on1
InChIInChI=1S/C19H19ClN4O2/c1-12-10-18(26-23-12)19(25)24-8-6-13(7-9-24)16-11-17(22-21-16)14-4-2-3-5-15(14)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22)
InChIKeyXCFDNHAQOQTECO-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.05
Rot. Bonds3

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

[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 77085432) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID77085432
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)on1
InChIInChI=1S/C19H19ClN4O2/c1-12-10-18(26-23-12)19(25)24-8-6-13(7-9-24)16-11-17(22-21-16)14-4-2-3-5-15(14)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22)
InChIKeyXCFDNHAQOQTECO-UHFFFAOYSA-N
XLogP4.05
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 56720560
1-azabicyclo[2.2.2]octan-2-yl-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 138808918
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
CID 126429602
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
CID 51123065
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 91832881
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 77085432) is [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)on1.
What is the InChIKey of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is XCFDNHAQOQTECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-10-18(26-23-12)19(25)24-8-6-13(7-9-24)16-11-17(22-21-16)14-4-2-3-5-15(14)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22).
What are the key properties of [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 370.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 77085432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).