4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole

C15H18N2O2 — CID 115054009

IUPAC4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2CC2CCCN2)cc1
InChIInChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)9-12-3-2-8-16-12/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyCPSZGWPZZCGGKS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole

4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole (PubChem CID 115054009) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
PubChem CID115054009
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2CC2CCCN2)cc1
InChIInChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)9-12-3-2-8-16-12/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyCPSZGWPZZCGGKS-UHFFFAOYSA-N
XLogP2.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
CID 115093549
4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 143526541
7-methoxy-1-(pyrrolidin-2-ylmethyl)isoquinoline
CID 116995296
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole (CID 115054009) is 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole is COc1ccc(-c2cnoc2CC2CCCN2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
The InChIKey is CPSZGWPZZCGGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-13-6-4-11(5-7-13)14-10-17-19-15(14)9-12-3-2-8-16-12/h4-7,10,12,16H,2-3,8-9H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole?
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115054009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).