7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one

C21H17NO3 — CID 70664781

IUPAC7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one
SMILESCC1Cc2cc3[nH]c(=O)oc3cc2C(c2ccc3ccccc3c2)O1
InChIInChI=1S/C21H17NO3/c1-12-8-16-10-18-19(25-21(23)22-18)11-17(16)20(24-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9-12,20H,8H2,1H3,(H,22,23)
InChIKeyPNPHYXJEKNLKHX-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.32
Rot. Bonds1

About 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one

7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one (PubChem CID 70664781) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one
PubChem CID70664781
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one
SMILESCC1Cc2cc3[nH]c(=O)oc3cc2C(c2ccc3ccccc3c2)O1
InChIInChI=1S/C21H17NO3/c1-12-8-16-10-18-19(25-21(23)22-18)11-17(16)20(24-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9-12,20H,8H2,1H3,(H,22,23)
InChIKeyPNPHYXJEKNLKHX-UHFFFAOYSA-N
XLogP4.32
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one?
The IUPAC name of 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one (CID 70664781) is 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one.
What is the SMILES notation for 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one?
The canonical SMILES for 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one is CC1Cc2cc3[nH]c(=O)oc3cc2C(c2ccc3ccccc3c2)O1.
What is the InChIKey of 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one?
The InChIKey is PNPHYXJEKNLKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-12-8-16-10-18-19(25-21(23)22-18)11-17(16)20(24-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-7,9-12,20H,8H2,1H3,(H,22,23).
What are the key properties of 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one?
7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one has a molecular weight of 331.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-naphthalen-2-yl-1,5,7,8-tetrahydropyrano[4,3-f][1,3]benzoxazol-2-one is sourced from PubChem (CID 70664781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).