5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole

C15H20N2O2 — CID 115061338

IUPAC5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(C3CCNC3)O2)cc1
InChIInChI=1S/C15H20N2O2/c1-18-13-4-2-11(3-5-13)8-14-10-17-15(19-14)12-6-7-16-9-12/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGTYXOLGAQJAEPW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole

5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061338) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061338
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(CC2CN=C(C3CCNC3)O2)cc1
InChIInChI=1S/C15H20N2O2/c1-18-13-4-2-11(3-5-13)8-14-10-17-15(19-14)12-6-7-16-9-12/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGTYXOLGAQJAEPW-UHFFFAOYSA-N
XLogP1.64
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 132564223
5-(4-methoxyphenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061508
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
5-(3-methoxyphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061350
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
3,3-difluoro-4-[(4-methoxyphenyl)methyl]piperidine
CID 84702585
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
CID 54239492

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole (CID 115061338) is 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole is COc1ccc(CC2CN=C(C3CCNC3)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is GTYXOLGAQJAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-13-4-2-11(3-5-13)8-14-10-17-15(19-14)12-6-7-16-9-12/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 260.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).