4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C19H14FN3O2 — CID 139409729

IUPAC4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyIOSVJICCZHMWDA-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.68
Rot. Bonds5

About 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409729) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409729
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESFc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23)
InChIKeyIOSVJICCZHMWDA-UHFFFAOYSA-N
XLogP4.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sms2-IN-2
CID 134813905
4-[5-[5-[(3-Ethyl-1,2-benzoxazol-6-yl)oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491903
4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409533
4-[(2,6-dichlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409534
3-[[3-(Pyridin-3-ylamino)-1,2-benzoxazol-4-yl]oxymethyl]benzonitrile
CID 139409538
4-[(2,6-difluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409539
4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409543
4-[(2-ethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409585
4-[(2-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409691
4-[(2-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409692
4-[(3-chlorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409693
4-[(2-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409724

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409729) is 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Fc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is IOSVJICCZHMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-14-5-1-4-13(10-14)12-24-16-7-2-8-17-18(16)19(23-25-17)22-15-6-3-9-21-11-15/h1-11H,12H2,(H,22,23).
What are the key properties of 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 335.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).