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

C14H16N2O — CID 115036737

IUPAC4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cnoc2CC2CCNC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2
InChIKeyJRVWETNJWUSITG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.49
Rot. Bonds3

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

4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole (PubChem CID 115036737) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
PubChem CID115036737
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
SMILESc1ccc(-c2cnoc2CC2CCNC2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2
InChIKeyJRVWETNJWUSITG-UHFFFAOYSA-N
XLogP2.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
4-(3-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 115053994
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115036269
1-methyl-4-phenyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 115044405
6-(pyrrolidin-3-ylmethyl)-1,2-benzoxazole
CID 84776800
4-phenyl-3-(piperidin-4-ylmethyl)pyridine
CID 115009267
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
CID 115093438
2-(3-chlorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,3-oxazole
CID 82666482
3-pyridin-3-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120836941
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The IUPAC name of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole (CID 115036737) is 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The canonical SMILES for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole is c1ccc(-c2cnoc2CC2CCNC2)cc1.
What is the InChIKey of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
The InChIKey is JRVWETNJWUSITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-4-12(5-3-1)13-10-16-17-14(13)8-11-6-7-15-9-11/h1-5,10-11,15H,6-9H2.
What are the key properties of 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole?
4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 115036737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).