1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea

C17H19N5O2 — CID 67381809

IUPAC1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea
SMILESCc1noc(C)c1Cc1[nH]ncc1NC(=O)NCc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-11-14(12(2)24-22-11)8-15-16(10-19-21-15)20-17(23)18-9-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H2,18,20,23)
InChIKeyLRIJVKDBOSIOFA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.93
Rot. Bonds5

About 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea

1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea (PubChem CID 67381809) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea
PubChem CID67381809
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea
SMILESCc1noc(C)c1Cc1[nH]ncc1NC(=O)NCc1ccccc1
InChIInChI=1S/C17H19N5O2/c1-11-14(12(2)24-22-11)8-15-16(10-19-21-15)20-17(23)18-9-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H2,18,20,23)
InChIKeyLRIJVKDBOSIOFA-UHFFFAOYSA-N
XLogP2.93
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362332
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4848853
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8954963
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylthiourea
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2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide
CID 43692270

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea (CID 67381809) is 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea is Cc1noc(C)c1Cc1[nH]ncc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea?
The InChIKey is LRIJVKDBOSIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-14(12(2)24-22-11)8-15-16(10-19-21-15)20-17(23)18-9-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H2,18,20,23).
What are the key properties of 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea?
1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea has a molecular weight of 325.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 67381809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).