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

C15H20N2O — CID 57283411

IUPAC3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=CC(CN3CCCC3)ON2)cc1
InChIInChI=1S/C15H20N2O/c1-12-4-6-13(7-5-12)15-10-14(18-16-15)11-17-8-2-3-9-17/h4-7,10,14,16H,2-3,8-9,11H2,1H3
InChIKeyJYYANKNCAGZWHE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds3

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

3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57283411) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
PubChem CID57283411
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=CC(CN3CCCC3)ON2)cc1
InChIInChI=1S/C15H20N2O/c1-12-4-6-13(7-5-12)15-10-14(18-16-15)11-17-8-2-3-9-17/h4-7,10,14,16H,2-3,8-9,11H2,1H3
InChIKeyJYYANKNCAGZWHE-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 56999532
1-phenyl-N-(2-pyrrolidin-1-ylethoxy)methanamine
CID 17845636
5-(Isothiocyanatomethyl)-3-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57050486
5-(Azepan-1-ylmethyl)-3-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57103816
4-[(3-Phenyl-2,5-dihydro-1,2-oxazol-5-yl)methyl]morpholine
CID 57164746
3-(4-Methylphenyl)-5-(piperidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole
CID 57178620
4-[[3-(4-Methylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57183799
3-Phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90811093
7-Benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90904521
(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 129055601
Ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine
CID 143482045
(Z)-3-(1-pentylpyrrolidin-3-yl)oxy-1-phenylprop-1-ene-1,2-diamine
CID 143813391

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole (CID 57283411) is 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole is Cc1ccc(C2=CC(CN3CCCC3)ON2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is JYYANKNCAGZWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-4-6-13(7-5-12)15-10-14(18-16-15)11-17-8-2-3-9-17/h4-7,10,14,16H,2-3,8-9,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole?
3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 244.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).