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

C9H15N3O — CID 112709491

IUPAC[1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cnc(N2CCC(CN)C2)o1
InChIInChI=1S/C9H15N3O/c1-7-5-11-9(13-7)12-3-2-8(4-10)6-12/h5,8H,2-4,6,10H2,1H3
InChIKeyGRWKPKRDOLLHGE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.77
Rot. Bonds2

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

[1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 112709491) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID112709491
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cnc(N2CCC(CN)C2)o1
InChIInChI=1S/C9H15N3O/c1-7-5-11-9(13-7)12-3-2-8(4-10)6-12/h5,8H,2-4,6,10H2,1H3
InChIKeyGRWKPKRDOLLHGE-UHFFFAOYSA-N
XLogP0.77
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-YL)propanamide
CID 12556854
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-propan-2-yl-1,3-oxazole
CID 137929270
5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole
CID 138009302
2-Isobutyramido-5-methyloxazole
CID 12556853
N,5-Dimethyloxazol-2-amine
CID 18683475
N-(4-methylpentyl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 22891614
3-[(5-Methyl-1,3-oxazol-2-yl)amino]butan-2-one
CID 59493413
N,5-diethyl-1,3-oxazol-2-amine
CID 69821667
5-methyl-N-propan-2-yl-1,3-oxazol-2-amine
CID 90064526
N-methyl-5-propan-2-yl-1,3-oxazol-2-amine
CID 117538753
N,5-dimethyl-N-propan-2-yl-1,3-oxazol-2-amine
CID 123619128
5-[(dimethylamino)methyl]-N-ethyl-1,3-oxazol-2-amine
CID 132190656

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine (CID 112709491) is [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine is Cc1cnc(N2CCC(CN)C2)o1.
What is the InChIKey of [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is GRWKPKRDOLLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-5-11-9(13-7)12-3-2-8(4-10)6-12/h5,8H,2-4,6,10H2,1H3.
What are the key properties of [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine?
[1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 112709491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).