1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C11H11N3O4 — CID 108895478

IUPAC1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(O)cc(O)c2)no1
InChIInChI=1S/C11H11N3O4/c1-6-2-10(14-18-6)13-11(17)12-7-3-8(15)5-9(16)4-7/h2-5,15-16H,1H3,(H2,12,13,14,17)
InChIKeyBISDBOIQKMRVSF-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.04
Rot. Bonds2

About 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108895478) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108895478
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(O)cc(O)c2)no1
InChIInChI=1S/C11H11N3O4/c1-6-2-10(14-18-6)13-11(17)12-7-3-8(15)5-9(16)4-7/h2-5,15-16H,1H3,(H2,12,13,14,17)
InChIKeyBISDBOIQKMRVSF-UHFFFAOYSA-N
XLogP2.04
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylprop-1-enyl)urea
CID 108909931
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
1-(2,3-dihydro-1-benzofuran-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 167948744

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108895478) is 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(O)cc(O)c2)no1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is BISDBOIQKMRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-2-10(14-18-6)13-11(17)12-7-3-8(15)5-9(16)4-7/h2-5,15-16H,1H3,(H2,12,13,14,17).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 249.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108895478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).