2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole

C14H16N2O — CID 115036778

IUPAC2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(CC3CNC3)o2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-4-12(5-3-10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3
InChIKeyKTVIFTVRHVJLKA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole

2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole (PubChem CID 115036778) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole
PubChem CID115036778
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2cnc(CC3CNC3)o2)cc1
InChIInChI=1S/C14H16N2O/c1-10-2-4-12(5-3-10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3
InChIKeyKTVIFTVRHVJLKA-UHFFFAOYSA-N
XLogP2.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azetidin-3-ylmethyl)-1,3-oxazol-5-yl]phenol
CID 115037705
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 115036776
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
2-(azetidin-3-ylmethyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115045283
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
2-(azetidin-3-ylmethyl)-5-cycloheptyl-1,3-oxazole
CID 115040423
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
CID 142768688
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
CID 66210190

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole (CID 115036778) is 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2cnc(CC3CNC3)o2)cc1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole?
The InChIKey is KTVIFTVRHVJLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-2-4-12(5-3-10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole?
2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 115036778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).