1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea

C22H21N5O2 — CID 165368483

IUPAC1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28)
InChIKeyAMILEAAZPFQVCZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea

1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea (PubChem CID 165368483) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
PubChem CID165368483
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28)
InChIKeyAMILEAAZPFQVCZ-UHFFFAOYSA-N
XLogP4.20
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
CID 56823586
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,3-dicarboxamide
CID 167874339
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea (CID 165368483) is 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea is Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea?
The InChIKey is AMILEAAZPFQVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-16-19(25-21(29-16)17-8-4-2-5-9-17)12-14-23-22(28)26-20-13-15-24-27(20)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,23,26,28).
What are the key properties of 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea?
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea has a molecular weight of 387.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 165368483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).