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

C12H15ClN4O — CID 154583036

IUPAC3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CC(Cn3cc(Cl)cn3)C2)no1
InChIInChI=1S/C12H15ClN4O/c1-9-2-12(15-18-9)8-16-4-10(5-16)6-17-7-11(13)3-14-17/h2-3,7,10H,4-6,8H2,1H3
InChIKeyYIADZAMTYJYBAN-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.96
Rot. Bonds4

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

3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 154583036) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID154583036
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CC(Cn3cc(Cl)cn3)C2)no1
InChIInChI=1S/C12H15ClN4O/c1-9-2-12(15-18-9)8-16-4-10(5-16)6-17-7-11(13)3-14-17/h2-3,7,10H,4-6,8H2,1H3
InChIKeyYIADZAMTYJYBAN-UHFFFAOYSA-N
XLogP1.96
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
4-chloro-1-[[1-(oxan-4-ylmethyl)azetidin-3-yl]methyl]pyrazole
CID 154580584
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
3-[[4-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 136562462
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
2-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929144
3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 91833913
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
CID 100569695
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
3-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 66202944
6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
CID 154581218

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 154583036) is 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CC(Cn3cc(Cl)cn3)C2)no1.
What is the InChIKey of 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is YIADZAMTYJYBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-9-2-12(15-18-9)8-16-4-10(5-16)6-17-7-11(13)3-14-17/h2-3,7,10H,4-6,8H2,1H3.
What are the key properties of 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 266.73 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 154583036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).