5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

C19H18FN5O — CID 171810679

IUPAC5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3cc(CN4CCC4)ccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C19H18FN5O/c1-24-16-5-4-13(20)10-14(16)21-18(24)23-19-22-15-9-12(3-6-17(15)26-19)11-25-7-2-8-25/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22,23)
InChIKeyLFXLZFMJZHLNSU-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.80
Rot. Bonds4

About 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine

5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 171810679) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
PubChem CID171810679
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
SMILESCn1c(Nc2nc3cc(CN4CCC4)ccc3o2)nc2cc(F)ccc21
InChIInChI=1S/C19H18FN5O/c1-24-16-5-4-13(20)10-14(16)21-18(24)23-19-22-15-9-12(3-6-17(15)26-19)11-25-7-2-8-25/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22,23)
InChIKeyLFXLZFMJZHLNSU-UHFFFAOYSA-N
XLogP3.80
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine (CID 171810679) is 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is Cn1c(Nc2nc3cc(CN4CCC4)ccc3o2)nc2cc(F)ccc21.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is LFXLZFMJZHLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-24-16-5-4-13(20)10-14(16)21-18(24)23-19-22-15-9-12(3-6-17(15)26-19)11-25-7-2-8-25/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22,23).
What are the key properties of 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine?
5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 351.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 171810679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).