N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

C24H26FN3O3 — CID 92572916

IUPACN-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESFc1cccc(Nc2noc3c2CN(Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1
InChIInChI=1S/C24H26FN3O3/c25-18-6-3-7-19(13-18)26-24-21-15-28(11-10-23(21)31-27-24)14-17-5-1-2-9-22(17)30-16-20-8-4-12-29-20/h1-3,5-7,9,13,20H,4,8,10-12,14-16H2,(H,26,27)/t20-/m0/s1
InChIKeyXAVTZGHQQZEGKN-FQEVSTJZSA-N
MW423.49 g/mol
LogP4.67
Rot. Bonds7

About N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 92572916) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID92572916
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESFc1cccc(Nc2noc3c2CN(Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1
InChIInChI=1S/C24H26FN3O3/c25-18-6-3-7-19(13-18)26-24-21-15-28(11-10-23(21)31-27-24)14-17-5-1-2-9-22(17)30-16-20-8-4-12-29-20/h1-3,5-7,9,13,20H,4,8,10-12,14-16H2,(H,26,27)/t20-/m0/s1
InChIKeyXAVTZGHQQZEGKN-FQEVSTJZSA-N
XLogP4.67
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 92572916) is N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is Fc1cccc(Nc2noc3c2CN(Cc2ccccc2OC[C@@H]2CCCO2)CC3)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is XAVTZGHQQZEGKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-18-6-3-7-19(13-18)26-24-21-15-28(11-10-23(21)31-27-24)14-17-5-1-2-9-22(17)30-16-20-8-4-12-29-20/h1-3,5-7,9,13,20H,4,8,10-12,14-16H2,(H,26,27)/t20-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 423.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 92572916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).