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

C21H22FN3O2 — CID 92561423

IUPACN-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1c(C)cccc1CN1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C21H22FN3O2/c1-14-5-3-6-15(20(14)26-2)12-25-10-9-19-18(13-25)21(24-27-19)23-17-8-4-7-16(22)11-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,24)
InChIKeyMZFBGKFKAUNESF-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.43
Rot. Bonds5

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

N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 92561423) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID92561423
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCOc1c(C)cccc1CN1CCc2onc(Nc3cccc(F)c3)c2C1
InChIInChI=1S/C21H22FN3O2/c1-14-5-3-6-15(20(14)26-2)12-25-10-9-19-18(13-25)21(24-27-19)23-17-8-4-7-16(22)11-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,24)
InChIKeyMZFBGKFKAUNESF-UHFFFAOYSA-N
XLogP4.43
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 92561423) is N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)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-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is COc1c(C)cccc1CN1CCc2onc(Nc3cccc(F)c3)c2C1.
What is the InChIKey of N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is MZFBGKFKAUNESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-5-3-6-15(20(14)26-2)12-25-10-9-19-18(13-25)21(24-27-19)23-17-8-4-7-16(22)11-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 367.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(2-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 92561423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).