N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine

C12H21N3O — CID 79541452

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1cc(CNC(C)CC2CCCN2)no1
InChIInChI=1S/C12H21N3O/c1-9(6-11-4-3-5-13-11)14-8-12-7-10(2)16-15-12/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyASMDJPXPHCLGJM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds5

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541452) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541452
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1cc(CNC(C)CC2CCCN2)no1
InChIInChI=1S/C12H21N3O/c1-9(6-11-4-3-5-13-11)14-8-12-7-10(2)16-15-12/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyASMDJPXPHCLGJM-UHFFFAOYSA-N
XLogP1.60
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540310
N-(1,2-oxazol-5-ylmethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 106415263
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79535946
5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
CID 60689913
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 114179950
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 115712416
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzonitrile
CID 79541717
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79535684
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 112668454

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79541452) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine is Cc1cc(CNC(C)CC2CCCN2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is ASMDJPXPHCLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(6-11-4-3-5-13-11)14-8-12-7-10(2)16-15-12/h7,9,11,13-14H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).