N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine

C17H21N3O — CID 176940456

IUPACN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
SMILESCc1coc(-c2cc(NN3C4CCC3CC4)ccc2C)n1
InChIInChI=1S/C17H21N3O/c1-11-3-4-13(9-16(11)17-18-12(2)10-21-17)19-20-14-5-6-15(20)8-7-14/h3-4,9-10,14-15,19H,5-8H2,1-2H3
InChIKeyFPYKPXLMCMZBQS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.91
Rot. Bonds3

About N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine

N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 176940456) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound NameN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
PubChem CID176940456
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine
SMILESCc1coc(-c2cc(NN3C4CCC3CC4)ccc2C)n1
InChIInChI=1S/C17H21N3O/c1-11-3-4-13(9-16(11)17-18-12(2)10-21-17)19-20-14-5-6-15(20)8-7-14/h3-4,9-10,14-15,19H,5-8H2,1-2H3
InChIKeyFPYKPXLMCMZBQS-UHFFFAOYSA-N
XLogP3.91
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine with MolForge

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Related Compounds

(1S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-azabicyclo[2.2.1]heptan-2-amine
CID 176940655
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
6-methylbicyclo[3.1.0]hexane;N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]formamide;molecular hydrogen
CID 176940683
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087034
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
(2R,6S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128617710
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436
5-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818788
3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
CID 127488638

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine (CID 176940456) is N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine is Cc1coc(-c2cc(NN3C4CCC3CC4)ccc2C)n1.
What is the InChIKey of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is FPYKPXLMCMZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-3-4-13(9-16(11)17-18-12(2)10-21-17)19-20-14-5-6-15(20)8-7-14/h3-4,9-10,14-15,19H,5-8H2,1-2H3.
What are the key properties of N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine?
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 283.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-7-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 176940456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).