(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol

C15H18N2O3 — CID 111123250

IUPAC(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2cnc(CN3CC[C@H](O)C3)o2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-13-4-2-11(3-5-13)14-8-16-15(20-14)10-17-7-6-12(18)9-17/h2-5,8,12,18H,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyOQDDMXRWRQUROP-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.92
Rot. Bonds4

About (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol

(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 111123250) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID111123250
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2cnc(CN3CC[C@H](O)C3)o2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-13-4-2-11(3-5-13)14-8-16-15(20-14)10-17-7-6-12(18)9-17/h2-5,8,12,18H,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyOQDDMXRWRQUROP-LBPRGKRZSA-N
XLogP1.92
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol (CID 111123250) is (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol is COc1ccc(-c2cnc(CN3CC[C@H](O)C3)o2)cc1.
What is the InChIKey of (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is OQDDMXRWRQUROP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-4-2-11(3-5-13)14-8-16-15(20-14)10-17-7-6-12(18)9-17/h2-5,8,12,18H,6-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol?
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 274.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 111123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).