[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

C16H19ClN2O2 — CID 102788948

IUPAC[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1CO
InChIInChI=1S/C16H19ClN2O2/c1-11-6-7-19(14(11)10-20)9-16-18-8-15(21-16)12-2-4-13(17)5-3-12/h2-5,8,11,14,20H,6-7,9-10H2,1H3
InChIKeyLVLLWHCRZGWUFH-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.20
Rot. Bonds4

About [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788948) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788948
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1CO
InChIInChI=1S/C16H19ClN2O2/c1-11-6-7-19(14(11)10-20)9-16-18-8-15(21-16)12-2-4-13(17)5-3-12/h2-5,8,11,14,20H,6-7,9-10H2,1H3
InChIKeyLVLLWHCRZGWUFH-UHFFFAOYSA-N
XLogP3.20
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788948) is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1CO.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is LVLLWHCRZGWUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-6-7-19(14(11)10-20)9-16-18-8-15(21-16)12-2-4-13(17)5-3-12/h2-5,8,11,14,20H,6-7,9-10H2,1H3.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 306.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).