1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea

C23H23N5O2 — CID 86896091

IUPAC1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3nn(-c4ccccc4)cc3C)co2)cc1
InChIInChI=1S/C23H23N5O2/c1-16-8-10-18(11-9-16)22-25-19(15-30-22)12-13-24-23(29)26-21-17(2)14-28(27-21)20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H2,24,26,27,29)
InChIKeyWBKSIEAIFLWNGI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.51
Rot. Bonds6

About 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea

1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea (PubChem CID 86896091) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea
PubChem CID86896091
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1ccc(-c2nc(CCNC(=O)Nc3nn(-c4ccccc4)cc3C)co2)cc1
InChIInChI=1S/C23H23N5O2/c1-16-8-10-18(11-9-16)22-25-19(15-30-22)12-13-24-23(29)26-21-17(2)14-28(27-21)20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H2,24,26,27,29)
InChIKeyWBKSIEAIFLWNGI-UHFFFAOYSA-N
XLogP4.51
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-4-methylpentyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923046
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557318
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 111455113
4-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000014
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
N,N-dimethyl-2-[5-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]indol-1-yl]acetamide
CID 56566221
1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923051
ethyl N-[3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylamino]-3-oxopropyl]carbamate
CID 51105748
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557319
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000012
2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
CID 111464580

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea (CID 86896091) is 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea is Cc1ccc(-c2nc(CCNC(=O)Nc3nn(-c4ccccc4)cc3C)co2)cc1.
What is the InChIKey of 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The InChIKey is WBKSIEAIFLWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-8-10-18(11-9-16)22-25-19(15-30-22)12-13-24-23(29)26-21-17(2)14-28(27-21)20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H2,24,26,27,29).
What are the key properties of 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea has a molecular weight of 401.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-methyl-1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 86896091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).