3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C17H22N2O2 — CID 62467616

IUPAC3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H22N2O2/c20-11-5-9-15-8-4-10-19(15)13-17-18-12-16(21-17)14-6-2-1-3-7-14/h1-3,6-7,12,15,20H,4-5,8-11,13H2
InChIKeyHKYMXVQEPPYDTR-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.08
Rot. Bonds6

About 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467616) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467616
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H22N2O2/c20-11-5-9-15-8-4-10-19(15)13-17-18-12-16(21-17)14-6-2-1-3-7-14/h1-3,6-7,12,15,20H,4-5,8-11,13H2
InChIKeyHKYMXVQEPPYDTR-UHFFFAOYSA-N
XLogP3.08
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
3-[1-(1,3-benzoxazol-2-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467617
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
5-phenyl-2-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 94173381
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076080
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 63021532
3-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479564
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95349673

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467616) is 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is HKYMXVQEPPYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-11-5-9-15-8-4-10-19(15)13-17-18-12-16(21-17)14-6-2-1-3-7-14/h1-3,6-7,12,15,20H,4-5,8-11,13H2.
What are the key properties of 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).