1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

C17H15N3O2 — CID 22946285

IUPAC1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-3-2-4-15(9-12)20-17(21)19-14-7-5-13(6-8-14)16-10-18-11-22-16/h2-11H,1H3,(H2,19,20,21)
InChIKeyAISMDELMNHIKBP-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 22946285) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID22946285
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-3-2-4-15(9-12)20-17(21)19-14-7-5-13(6-8-14)16-10-18-11-22-16/h2-11H,1H3,(H2,19,20,21)
InChIKeyAISMDELMNHIKBP-UHFFFAOYSA-N
XLogP4.29
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 854968
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CID 2806353
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CID 2739289
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CID 2737068
CID 2737068
CID 5329404
CID 5329404
CID 5329843
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CID 5329844
CID 5329844
CID 5329845
CID 5329845
CID 5329847
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CID 5329849
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CID 2739167
CID 2739167

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea (CID 22946285) is 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea is Cc1cccc(NC(=O)Nc2ccc(-c3cnco3)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is AISMDELMNHIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-3-2-4-15(9-12)20-17(21)19-14-7-5-13(6-8-14)16-10-18-11-22-16/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea?
1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 293.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 22946285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).