1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C12H13N3O3 — CID 108812172

IUPAC1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C)on2)c(O)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-9(10(16)5-7)13-12(17)14-11-6-8(2)18-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyQOWDMLWZWVGICY-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.64
Rot. Bonds2

About 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108812172) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108812172
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C)on2)c(O)c1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-9(10(16)5-7)13-12(17)14-11-6-8(2)18-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17)
InChIKeyQOWDMLWZWVGICY-UHFFFAOYSA-N
XLogP2.64
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
ethane;1-[2-hydroxy-4-[5-methyl-6-[(Z)-prop-1-enyl]pyrimidin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 143388891
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
CID 143052396
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108812172) is 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1ccc(NC(=O)Nc2cc(C)on2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is QOWDMLWZWVGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-9(10(16)5-7)13-12(17)14-11-6-8(2)18-15-11/h3-6,16H,1-2H3,(H2,13,14,15,17).
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 247.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).