1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

C16H15N3O3 — CID 894044

IUPAC1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-10-17-14-9-12(5-8-15(14)22-10)19-16(20)18-11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyCHSUNINMMIQXAL-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea

1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (PubChem CID 894044) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
PubChem CID894044
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-10-17-14-9-12(5-8-15(14)22-10)19-16(20)18-11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyCHSUNINMMIQXAL-UHFFFAOYSA-N
XLogP3.79
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea (CID 894044) is 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is COc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is CHSUNINMMIQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-17-14-9-12(5-8-15(14)22-10)19-16(20)18-11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea?
1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 297.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 894044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).