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

C21H20FN5O — CID 95813055

IUPACN-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCn1cnc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21
InChIInChI=1S/C21H20FN5O/c1-26-13-23-18-9-14(5-6-19(18)26)11-27-8-7-20-17(12-27)21(25-28-20)24-16-4-2-3-15(22)10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,24,25)
InChIKeyOZISWVRVBKXBQI-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.00
Rot. Bonds4

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

N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 95813055) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID95813055
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCn1cnc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21
InChIInChI=1S/C21H20FN5O/c1-26-13-23-18-9-14(5-6-19(18)26)11-27-8-7-20-17(12-27)21(25-28-20)24-16-4-2-3-15(22)10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,24,25)
InChIKeyOZISWVRVBKXBQI-UHFFFAOYSA-N
XLogP4.00
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 95813055) is N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-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-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is Cn1cnc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)ccc21.
What is the InChIKey of N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is OZISWVRVBKXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26-13-23-18-9-14(5-6-19(18)26)11-27-8-7-20-17(12-27)21(25-28-20)24-16-4-2-3-15(22)10-16/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,24,25).
What are the key properties of N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 377.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(1-methylbenzimidazol-5-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 95813055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).