[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol

C14H18N2O2S — CID 102787710

IUPAC[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cc(-c3cccs3)on2)C1CO
InChIInChI=1S/C14H18N2O2S/c1-10-4-5-16(12(10)9-17)8-11-7-13(18-15-11)14-3-2-6-19-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3
InChIKeySZTIZTYMMTUQME-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.61
Rot. Bonds4

About [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 102787710) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID102787710
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cc(-c3cccs3)on2)C1CO
InChIInChI=1S/C14H18N2O2S/c1-10-4-5-16(12(10)9-17)8-11-7-13(18-15-11)14-3-2-6-19-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3
InChIKeySZTIZTYMMTUQME-UHFFFAOYSA-N
XLogP2.61
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 102787710) is [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol is CC1CCN(Cc2cc(-c3cccs3)on2)C1CO.
What is the InChIKey of [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is SZTIZTYMMTUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-4-5-16(12(10)9-17)8-11-7-13(18-15-11)14-3-2-6-19-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3.
What are the key properties of [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).