4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole

C15H18N2O — CID 115003871

IUPAC4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESCc1ccccc1-c1cnoc1C1CCCNC1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)12-6-4-8-16-9-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3
InChIKeyBNTVOJAXUGFBAO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds2

About 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole

4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole (PubChem CID 115003871) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
PubChem CID115003871
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
SMILESCc1ccccc1-c1cnoc1C1CCCNC1
InChIInChI=1S/C15H18N2O/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)12-6-4-8-16-9-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3
InChIKeyBNTVOJAXUGFBAO-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
ethane;3-(2-methylphenyl)piperidine
CID 144655647
4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053950
4-(2-methoxyphenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115003498
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
3-(4-methyl-3-pyridinyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104982341
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole?
The IUPAC name of 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole (CID 115003871) is 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole is Cc1ccccc1-c1cnoc1C1CCCNC1.
What is the InChIKey of 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole?
The InChIKey is BNTVOJAXUGFBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-2-3-7-13(11)14-10-17-18-15(14)12-6-4-8-16-9-12/h2-3,5,7,10,12,16H,4,6,8-9H2,1H3.
What are the key properties of 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole?
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole has a molecular weight of 242.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole is sourced from PubChem (CID 115003871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).