2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole

C18H20N4O — CID 56781724

IUPAC2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1
InChIInChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3
InChIKeyFHMIXDDBRGFALE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.21
Rot. Bonds4

About 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 56781724) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID56781724
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1
InChIInChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3
InChIKeyFHMIXDDBRGFALE-UHFFFAOYSA-N
XLogP3.21
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
5-(4-methoxyphenyl)-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 56781184
2-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 124753304
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
CID 99945990
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
(2R)-3-chloro-2-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 95337841
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 8748084
2-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 86972382

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 56781724) is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole is Cc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1.
What is the InChIKey of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is FHMIXDDBRGFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3.
What are the key properties of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 308.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 56781724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).