[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine

C15H18ClN3O — CID 62062017

IUPAC[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)14-8-18-15(20-14)10-19-6-5-11(7-17)9-19/h1-4,8,11H,5-7,9-10,17H2
InChIKeyWSUFZBVQHYYWDK-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.78
Rot. Bonds4

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

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62062017) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID62062017
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)14-8-18-15(20-14)10-19-6-5-11(7-17)9-19/h1-4,8,11H,5-7,9-10,17H2
InChIKeyWSUFZBVQHYYWDK-UHFFFAOYSA-N
XLogP2.78
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.78
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]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine (CID 62062017) is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WSUFZBVQHYYWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-3-1-12(2-4-13)14-8-18-15(20-14)10-19-6-5-11(7-17)9-19/h1-4,8,11H,5-7,9-10,17H2.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine?
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 2.78, 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]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62062017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).