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

C22H22FN3O2 — CID 92584892

IUPACN-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESC[C@H]1Cc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1
InChIInChI=1S/C22H22FN3O2/c1-14-9-16-10-15(5-6-20(16)27-14)12-26-8-7-21-19(13-26)22(25-28-21)24-18-4-2-3-17(23)11-18/h2-6,10-11,14H,7-9,12-13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyPKFVHPHVAXQVQQ-AWEZNQCLSA-N
MW379.44 g/mol
LogP4.44
Rot. Bonds4

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

N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 92584892) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID92584892
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESC[C@H]1Cc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1
InChIInChI=1S/C22H22FN3O2/c1-14-9-16-10-15(5-6-20(16)27-14)12-26-8-7-21-19(13-26)22(25-28-21)24-18-4-2-3-17(23)11-18/h2-6,10-11,14H,7-9,12-13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyPKFVHPHVAXQVQQ-AWEZNQCLSA-N
XLogP4.44
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]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-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 92584892) is N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is C[C@H]1Cc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc2O1.
What is the InChIKey of N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is PKFVHPHVAXQVQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-9-16-10-15(5-6-20(16)27-14)12-26-8-7-21-19(13-26)22(25-28-21)24-18-4-2-3-17(23)11-18/h2-6,10-11,14H,7-9,12-13H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 379.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 92584892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).