1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea

C17H21N5O2 — CID 119051656

IUPAC1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1ccc(C2=NOC(CNC(=O)NCCn3cccn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-13-3-5-14(6-4-13)16-11-15(24-21-16)12-19-17(23)18-8-10-22-9-2-7-20-22/h2-7,9,15H,8,10-12H2,1H3,(H2,18,19,23)
InChIKeyDXTLTVWDNUTEKY-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.68
Rot. Bonds6

About 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea

1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 119051656) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
PubChem CID119051656
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1ccc(C2=NOC(CNC(=O)NCCn3cccn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-13-3-5-14(6-4-13)16-11-15(24-21-16)12-19-17(23)18-8-10-22-9-2-7-20-22/h2-7,9,15H,8,10-12H2,1H3,(H2,18,19,23)
InChIKeyDXTLTVWDNUTEKY-UHFFFAOYSA-N
XLogP1.68
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 124873809
1-[[(5S)-3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 124849123
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
3-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493513
(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide
CID 125141361
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 51078485
1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 136559965
3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83288373
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 128998802
1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124721358
1-[(2R)-1-hydroxybutan-2-yl]-3-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124847923

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea (CID 119051656) is 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea is Cc1ccc(C2=NOC(CNC(=O)NCCn3cccn3)C2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is DXTLTVWDNUTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-3-5-14(6-4-13)16-11-15(24-21-16)12-19-17(23)18-8-10-22-9-2-7-20-22/h2-7,9,15H,8,10-12H2,1H3,(H2,18,19,23).
What are the key properties of 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea?
1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 327.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 119051656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).