4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine

C8H13N3O — CID 115013289

IUPAC4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
SMILESCN1CCCC1c1coc(N)n1
InChIInChI=1S/C8H13N3O/c1-11-4-2-3-7(11)6-5-12-8(9)10-6/h5,7H,2-4H2,1H3,(H2,9,10)
InChIKeyCESAQTMMGARKIQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.02
Rot. Bonds1

About 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine

4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine (PubChem CID 115013289) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
PubChem CID115013289
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
SMILESCN1CCCC1c1coc(N)n1
InChIInChI=1S/C8H13N3O/c1-11-4-2-3-7(11)6-5-12-8(9)10-6/h5,7H,2-4H2,1H3,(H2,9,10)
InChIKeyCESAQTMMGARKIQ-UHFFFAOYSA-N
XLogP1.02
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
4-(1-methylpiperidin-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115040976
4-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 59551929
4-cyclobutyl-1,3-oxazol-2-amine
CID 105427970
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
3-(1-methylpiperidin-2-yl)-1,2-oxazol-5-amine
CID 115015914
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine (CID 115013289) is 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine is CN1CCCC1c1coc(N)n1.
What is the InChIKey of 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine?
The InChIKey is CESAQTMMGARKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-4-2-3-7(11)6-5-12-8(9)10-6/h5,7H,2-4H2,1H3,(H2,9,10).
What are the key properties of 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine?
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine has a molecular weight of 167.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 115013289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).