[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine

C9H15N3O — CID 115093549

IUPAC[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1CC1CCCN1
InChIInChI=1S/C9H15N3O/c10-5-7-6-12-13-9(7)4-8-2-1-3-11-8/h6,8,11H,1-5,10H2
InChIKeyLNJGLXPGCYIOLO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.43
Rot. Bonds3

About [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine

[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine (PubChem CID 115093549) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
PubChem CID115093549
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1cnoc1CC1CCCN1
InChIInChI=1S/C9H15N3O/c10-5-7-6-12-13-9(7)4-8-2-1-3-11-8/h6,8,11H,1-5,10H2
InChIKeyLNJGLXPGCYIOLO-UHFFFAOYSA-N
XLogP0.43
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054022
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
4-(4-fluorophenyl)-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115053954
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
4-(4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 115054009
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
5-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308308
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
(5-cyclobutyl-1,2-oxazol-4-yl)methanamine
CID 105429702
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504

Frequently Asked Questions

What is the IUPAC name of [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine (CID 115093549) is [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine is NCc1cnoc1CC1CCCN1.
What is the InChIKey of [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is LNJGLXPGCYIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-7-6-12-13-9(7)4-8-2-1-3-11-8/h6,8,11H,1-5,10H2.
What are the key properties of [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine?
[5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrrolidin-2-ylmethyl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 115093549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).