1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

C18H23N3O2 — CID 48813052

IUPAC1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)N(Cc2ccccc2)CC2CCC2)oc1C
InChIInChI=1S/C18H23N3O2/c1-13-14(2)23-17(19-13)20-18(22)21(12-16-9-6-10-16)11-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,19,20,22)
InChIKeyXPDRFTJWSFJSRC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.13
Rot. Bonds5

About 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea

1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (PubChem CID 48813052) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
PubChem CID48813052
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea
SMILESCc1nc(NC(=O)N(Cc2ccccc2)CC2CCC2)oc1C
InChIInChI=1S/C18H23N3O2/c1-13-14(2)23-17(19-13)20-18(22)21(12-16-9-6-10-16)11-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,19,20,22)
InChIKeyXPDRFTJWSFJSRC-UHFFFAOYSA-N
XLogP4.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea (CID 48813052) is 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is Cc1nc(NC(=O)N(Cc2ccccc2)CC2CCC2)oc1C.
What is the InChIKey of 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
The InChIKey is XPDRFTJWSFJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-14(2)23-17(19-13)20-18(22)21(12-16-9-6-10-16)11-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-12H2,1-2H3,(H,19,20,22).
What are the key properties of 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea?
1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea has a molecular weight of 313.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(cyclobutylmethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 48813052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).