2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole

C14H16N2O — CID 115036775

IUPAC2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(C3CCCN3)co2)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)14-16-13(9-17-14)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3
InChIKeyVRTMNBKWDHHIOQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.07
Rot. Bonds2

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

2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole (PubChem CID 115036775) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
PubChem CID115036775
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(C3CCCN3)co2)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)14-16-13(9-17-14)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3
InChIKeyVRTMNBKWDHHIOQ-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
CID 115013285
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
3-(4-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 75526655
5-(azepan-2-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 64560736
2-methyl-5,6-bis(4-methylphenyl)-3-piperidin-2-ylpyrazine
CID 69202900

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole (CID 115036775) is 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole is Cc1ccc(-c2nc(C3CCCN3)co2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole?
The InChIKey is VRTMNBKWDHHIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-6-11(7-5-10)14-16-13(9-17-14)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole?
2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole has a molecular weight of 228.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole is sourced from PubChem (CID 115036775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).