3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole

C14H19ClN4O — CID 91833913

IUPAC3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCCN2CCn2cc(Cl)cn2)no1
InChIInChI=1S/C14H19ClN4O/c1-11-8-13(17-20-11)14-4-2-3-5-18(14)6-7-19-10-12(15)9-16-19/h8-10,14H,2-7H2,1H3
InChIKeyLSSAQYHBMLDNQN-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.06
Rot. Bonds4

About 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole

3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 91833913) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID91833913
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C2CCCCN2CCn2cc(Cl)cn2)no1
InChIInChI=1S/C14H19ClN4O/c1-11-8-13(17-20-11)14-4-2-3-5-18(14)6-7-19-10-12(15)9-16-19/h8-10,14H,2-7H2,1H3
InChIKeyLSSAQYHBMLDNQN-UHFFFAOYSA-N
XLogP3.06
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]acetamide
CID 124754090
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 125175909
3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732249
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
5-methyl-3-[1-[(4-propan-2-yloxyphenyl)methyl]azepan-2-yl]-1,2-oxazole
CID 110220454
2-[5-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99946574
2-[4-chloro-2-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77096165
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole (CID 91833913) is 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole is Cc1cc(C2CCCCN2CCn2cc(Cl)cn2)no1.
What is the InChIKey of 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is LSSAQYHBMLDNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-11-8-13(17-20-11)14-4-2-3-5-18(14)6-7-19-10-12(15)9-16-19/h8-10,14H,2-7H2,1H3.
What are the key properties of 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 294.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 91833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).