N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine

C8H13N3O — CID 22560251

IUPACN-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
SMILESc1nc(NCC2CCNC2)co1
InChIInChI=1S/C8H13N3O/c1-2-9-3-7(1)4-10-8-5-12-6-11-8/h5-7,9-10H,1-4H2
InChIKeyNOKDQVXMLJIYTD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.70
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine

N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine (PubChem CID 22560251) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
PubChem CID22560251
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
SMILESc1nc(NCC2CCNC2)co1
InChIInChI=1S/C8H13N3O/c1-2-9-3-7(1)4-10-8-5-12-6-11-8/h5-7,9-10H,1-4H2
InChIKeyNOKDQVXMLJIYTD-UHFFFAOYSA-N
XLogP0.70
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709455
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 78990195

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine (CID 22560251) is N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine is c1nc(NCC2CCNC2)co1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine?
The InChIKey is NOKDQVXMLJIYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-9-3-7(1)4-10-8-5-12-6-11-8/h5-7,9-10H,1-4H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine?
N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 22560251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).