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

C9H15N3O — CID 83875800

IUPACN-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine
SMILESCNCc1cnc(N2CCCC2)o1
InChIInChI=1S/C9H15N3O/c1-10-6-8-7-11-9(13-8)12-4-2-3-5-12/h7,10H,2-6H2,1H3
InChIKeyIFWFGEXKUUMRAH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.99
Rot. Bonds3

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

N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine (PubChem CID 83875800) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine
PubChem CID83875800
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine
SMILESCNCc1cnc(N2CCCC2)o1
InChIInChI=1S/C9H15N3O/c1-10-6-8-7-11-9(13-8)12-4-2-3-5-12/h7,10H,2-6H2,1H3
InChIKeyIFWFGEXKUUMRAH-UHFFFAOYSA-N
XLogP0.99
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-1,3-oxazol-2-yl)cyanamide
CID 119091426
5-[[[(1R,2S)-2-fluorocyclopentyl]amino]methyl]-1,3-oxazol-2-amine
CID 131020110
5-[(2-Fluoroethylamino)methyl]-1,3-oxazol-2-amine
CID 131206980
N,5-Dimethyloxazol-2-amine
CID 18683475
4-(Methylamino)-1-(1,3-oxazol-5-ylmethyl)-1,3,5-triazin-2-one
CID 57106917
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,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
5-[(dimethylamino)methyl]-N-propyl-1,3-oxazol-2-amine
CID 132190665
[5,5-Dimethoxy-1-(1,3-oxazol-5-ylmethyl)-4,6-dihydropyrimidin-2-yl]cyanamide
CID 140015076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine (CID 83875800) is N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine is CNCc1cnc(N2CCCC2)o1.
What is the InChIKey of N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine?
The InChIKey is IFWFGEXKUUMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-6-8-7-11-9(13-8)12-4-2-3-5-12/h7,10H,2-6H2,1H3.
What are the key properties of N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine?
N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 83875800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).