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

C20H17N3O2 — CID 139409728

IUPAC4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H17N3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyLUZYYLKZWBFFLT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.85
Rot. Bonds5

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

4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409728) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409728
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESCc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1
InChIInChI=1S/C20H17N3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16/h2-12H,13H2,1H3,(H,22,23)
InChIKeyLUZYYLKZWBFFLT-UHFFFAOYSA-N
XLogP4.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sms2-IN-2
CID 134813905
2-(5-(Methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyrazin-2-yl)acetic acid
CID 11503359
2-(6-(Methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyridin-3-yl)acetic acid
CID 11619338
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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409728) is 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is Cc1cccc(COc2cccc3onc(Nc4cccnc4)c23)c1.
What is the InChIKey of 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is LUZYYLKZWBFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-5-2-6-15(11-14)13-24-17-8-3-9-18-19(17)20(23-25-18)22-16-7-4-10-21-12-16/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 331.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).