1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione

C15H9N3O3 — CID 175983951

IUPAC1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc3ccccc3o2)c2ccccc12
InChIInChI=1S/C15H9N3O3/c19-13-9-5-1-3-7-11(9)18(14(20)17-13)15-16-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,19,20)
InChIKeyFSEPVWLLWALULH-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.82
Rot. Bonds1

About 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione

1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione (PubChem CID 175983951) has the molecular formula C15H9N3O3 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione
PubChem CID175983951
Molecular FormulaC15H9N3O3
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc3ccccc3o2)c2ccccc12
InChIInChI=1S/C15H9N3O3/c19-13-9-5-1-3-7-11(9)18(14(20)17-13)15-16-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,19,20)
InChIKeyFSEPVWLLWALULH-UHFFFAOYSA-N
XLogP1.82
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 10198876
14-(1,3-benzoxazol-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118502678
3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
CID 15428752
2-(3-chlorocarbazol-9-yl)-1,3-benzoxazole
CID 146370377
2-(22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-12-yl)-1,3-benzoxazole
CID 118502072
12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502783
3-(1,3-benzoxazol-2-yl)-1,3-benzoxazole-2-thione
CID 4206564
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-1,3-benzoxazole
CID 118503047
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
CID 118335134
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
2-(5-phenylindolo[3,2-b]carbazol-11-yl)chromeno[2,3-f][1,3]benzoxazol-10-one
CID 118531831

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione (CID 175983951) is 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2nc3ccccc3o2)c2ccccc12.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione?
The InChIKey is FSEPVWLLWALULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c19-13-9-5-1-3-7-11(9)18(14(20)17-13)15-16-10-6-2-4-8-12(10)21-15/h1-8H,(H,17,19,20).
What are the key properties of 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione?
1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione has a molecular weight of 279.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)quinazoline-2,4-dione is sourced from PubChem (CID 175983951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).