N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine

C16H21N3O — CID 106415219

IUPACN-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NCc3ccno3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-14(5-3-1)7-10-19-11-8-15(13-19)17-12-16-6-9-18-20-16/h1-6,9,15,17H,7-8,10-13H2
InChIKeyXNQQNYKIIWYUEQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds6

About N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine

N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 106415219) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID106415219
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NCc3ccno3)C2)cc1
InChIInChI=1S/C16H21N3O/c1-2-4-14(5-3-1)7-10-19-11-8-15(13-19)17-12-16-6-9-18-20-16/h1-6,9,15,17H,7-8,10-13H2
InChIKeyXNQQNYKIIWYUEQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-[(3-bromothiophen-2-yl)methyl]-1-(2-phenylethyl)pyrrolidin-3-amine
CID 79692331
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 60713870
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine (CID 106415219) is N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine is c1ccc(CCN2CCC(NCc3ccno3)C2)cc1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is XNQQNYKIIWYUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-14(5-3-1)7-10-19-11-8-15(13-19)17-12-16-6-9-18-20-16/h1-6,9,15,17H,7-8,10-13H2.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 106415219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).