N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine

C15H21N3O — CID 115210683

IUPACN,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(N(C)CCC3CCNC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-4-3-13(9-15(14)19-11)18(2)8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyZHZRNIJTLDZRTC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds4

About N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine

N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine (PubChem CID 115210683) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
PubChem CID115210683
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(N(C)CCC3CCNC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-14-4-3-13(9-15(14)19-11)18(2)8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyZHZRNIJTLDZRTC-UHFFFAOYSA-N
XLogP2.57
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 116925486
6-[methyl(2-pyrrolidin-3-ylethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115210689
2-methyl-N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211282
2-methyl-6-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 116925708
5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
CID 115236387
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
1-[4-[methyl(2-pyrrolidin-3-ylethyl)amino]phenyl]ethanone
CID 117029580
methyl 3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoate
CID 115232332
6-chloro-2-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazole
CID 58200841
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
3-N,3-dimethyl-3-N-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine
CID 115134610
2-methyl-6-[(1-methylpiperazin-2-yl)methyl]-1,3-benzoxazole
CID 116928063

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine (CID 115210683) is N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine is Cc1nc2ccc(N(C)CCC3CCNC3)cc2o1.
What is the InChIKey of N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is ZHZRNIJTLDZRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-14-4-3-13(9-15(14)19-11)18(2)8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine?
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 259.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115210683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).