N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine

C15H18FN3O2 — CID 134495801

IUPACN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1c(F)ccc2c(N[C@@H]3CN4CCC3CC4)noc12
InChIInChI=1S/C15H18FN3O2/c1-20-14-11(16)3-2-10-13(14)21-18-15(10)17-12-8-19-6-4-9(12)5-7-19/h2-3,9,12H,4-8H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyAMQIRJOJBHBSDR-GFCCVEGCSA-N
MW291.33 g/mol
LogP2.48
Rot. Bonds3

About N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine (PubChem CID 134495801) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine
PubChem CID134495801
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1c(F)ccc2c(N[C@@H]3CN4CCC3CC4)noc12
InChIInChI=1S/C15H18FN3O2/c1-20-14-11(16)3-2-10-13(14)21-18-15(10)17-12-8-19-6-4-9(12)5-7-19/h2-3,9,12H,4-8H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyAMQIRJOJBHBSDR-GFCCVEGCSA-N
XLogP2.48
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-7-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 134495895
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-chloro-1,2-benzoxazole-7-carbonitrile;hydrochloride
CID 134495718
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-benzoxazol-3-amine
CID 134495722
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-1,2-benzoxazol-3-amine;hydrochloride
CID 134495757
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-5-fluoro-7-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 134495749
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-tert-butyl-1,2-benzoxazol-3-amine
CID 134495723
6-chloro-7-methoxy-N-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl-1,2-benzoxazol-3-amine
CID 126566503
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(trifluoromethoxy)-1,2-benzoxazol-3-amine;hydrochloride
CID 140871503
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylsulfonyl-1,2-benzoxazol-3-amine;hydrochloride
CID 134495890
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine
CID 134495827
7-fluoro-6-methyl-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine;hydrochloride
CID 126566608

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine?
The IUPAC name of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine (CID 134495801) is N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine?
The canonical SMILES for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine is COc1c(F)ccc2c(N[C@@H]3CN4CCC3CC4)noc12.
What is the InChIKey of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine?
The InChIKey is AMQIRJOJBHBSDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-14-11(16)3-2-10-13(14)21-18-15(10)17-12-8-19-6-4-9(12)5-7-19/h2-3,9,12H,4-8H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine?
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine has a molecular weight of 291.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 134495801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).