4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine

C19H15N3O2 — CID 139409543

IUPAC4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H15N3O2/c1-2-6-14(7-3-1)13-23-16-9-4-10-17-18(16)19(22-24-17)21-15-8-5-11-20-12-15/h1-12H,13H2,(H,21,22)
InChIKeyHGXVRIBRQSFMKB-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.55
Rot. Bonds5

About 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine

4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine (PubChem CID 139409543) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine
PubChem CID139409543
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine
SMILESc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
InChIInChI=1S/C19H15N3O2/c1-2-6-14(7-3-1)13-23-16-9-4-10-17-18(16)19(22-24-17)21-15-8-5-11-20-12-15/h1-12H,13H2,(H,21,22)
InChIKeyHGXVRIBRQSFMKB-UHFFFAOYSA-N
XLogP4.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The IUPAC name of 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine (CID 139409543) is 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine is c1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1.
What is the InChIKey of 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
The InChIKey is HGXVRIBRQSFMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-6-14(7-3-1)13-23-16-9-4-10-17-18(16)19(22-24-17)21-15-8-5-11-20-12-15/h1-12H,13H2,(H,21,22).
What are the key properties of 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine?
4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine has a molecular weight of 317.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-pyridin-3-yl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 139409543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).