(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine

C8H13N3O — CID 115013285

IUPAC(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1nc(C2CCCN2)co1
InChIInChI=1S/C8H13N3O/c9-4-8-11-7(5-12-8)6-2-1-3-10-6/h5-6,10H,1-4,9H2
InChIKeyWZDMIYZAQUGHFJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds2

About (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine

(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 115013285) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
PubChem CID115013285
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1nc(C2CCCN2)co1
InChIInChI=1S/C8H13N3O/c9-4-8-11-7(5-12-8)6-2-1-3-10-6/h5-6,10H,1-4,9H2
InChIKeyWZDMIYZAQUGHFJ-UHFFFAOYSA-N
XLogP0.56
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 82417113
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
(2-pyrrolidin-2-ylimidazo[1,2-a]pyridin-5-yl)methanamine
CID 117131741
2-(4-methylphenyl)-4-pyrrolidin-2-yl-1,3-oxazole
CID 115036775
[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
4-(oxan-4-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041557
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
CID 154005365
4-(oxan-3-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 115041538
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029

Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine (CID 115013285) is (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine is NCc1nc(C2CCCN2)co1.
What is the InChIKey of (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is WZDMIYZAQUGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-8-11-7(5-12-8)6-2-1-3-10-6/h5-6,10H,1-4,9H2.
What are the key properties of (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine?
(4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-2-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 115013285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).