1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C21H19N5O5 — CID 56953737

IUPAC1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C)on4)c3)c2cc1OC
InChIInChI=1S/C21H19N5O5/c1-12-7-19(26-31-12)25-21(27)24-13-5-4-6-14(8-13)30-20-15-9-17(28-2)18(29-3)10-16(15)22-11-23-20/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeySFVQKUIJLYJJCY-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.38
Rot. Bonds6

About 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 56953737) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID56953737
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C)on4)c3)c2cc1OC
InChIInChI=1S/C21H19N5O5/c1-12-7-19(26-31-12)25-21(27)24-13-5-4-6-14(8-13)30-20-15-9-17(28-2)18(29-3)10-16(15)22-11-23-20/h4-11H,1-3H3,(H2,24,25,26,27)
InChIKeySFVQKUIJLYJJCY-UHFFFAOYSA-N
XLogP4.38
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 56953737) is 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C)on4)c3)c2cc1OC.
What is the InChIKey of 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is SFVQKUIJLYJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c1-12-7-19(26-31-12)25-21(27)24-13-5-4-6-14(8-13)30-20-15-9-17(28-2)18(29-3)10-16(15)22-11-23-20/h4-11H,1-3H3,(H2,24,25,26,27).
What are the key properties of 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 421.41 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 56953737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).