N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine

C15H19N3O — CID 63297902

IUPACN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1coc(-c2ccccc2)n1)C1CCNC1
InChIInChI=1S/C15H19N3O/c1-18(14-7-8-16-9-14)10-13-11-19-15(17-13)12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3
InChIKeyQCBSRLKILLPMDP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine

N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 63297902) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID63297902
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(Cc1coc(-c2ccccc2)n1)C1CCNC1
InChIInChI=1S/C15H19N3O/c1-18(14-7-8-16-9-14)10-13-11-19-15(17-13)12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3
InChIKeyQCBSRLKILLPMDP-UHFFFAOYSA-N
XLogP2.14
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921783
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124
(3R)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 95276186
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
CID 66181515
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301501

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine (CID 63297902) is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine is CN(Cc1coc(-c2ccccc2)n1)C1CCNC1.
What is the InChIKey of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is QCBSRLKILLPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(14-7-8-16-9-14)10-13-11-19-15(17-13)12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3.
What are the key properties of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine?
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63297902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).