N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline

C16H21N3O — CID 95901092

IUPACN,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
SMILESCN(C)c1cccc([C@H]2CCCN2Cc2ccno2)c1
InChIInChI=1S/C16H21N3O/c1-18(2)14-6-3-5-13(11-14)16-7-4-10-19(16)12-15-8-9-17-20-15/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3/t16-/m1/s1
InChIKeyQAKBXDOEACXHTF-MRXNPFEDSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds4

About N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline

N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline (PubChem CID 95901092) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
PubChem CID95901092
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
SMILESCN(C)c1cccc([C@H]2CCCN2Cc2ccno2)c1
InChIInChI=1S/C16H21N3O/c1-18(2)14-6-3-5-13(11-14)16-7-4-10-19(16)12-15-8-9-17-20-15/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3/t16-/m1/s1
InChIKeyQAKBXDOEACXHTF-MRXNPFEDSA-N
XLogP3.08
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[1-[(5-methyloxolan-2-yl)methyl]pyrrolidin-2-yl]aniline
CID 102562664
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130739945
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 71988900
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
CID 90164810
N,N-dimethyl-5-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 94139160
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid
CID 70083468
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 39996995

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline (CID 95901092) is N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline is CN(C)c1cccc([C@H]2CCCN2Cc2ccno2)c1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline?
The InChIKey is QAKBXDOEACXHTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18(2)14-6-3-5-13(11-14)16-7-4-10-19(16)12-15-8-9-17-20-15/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline?
N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline is sourced from PubChem (CID 95901092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).