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

C16H19N3O2 — CID 71936890

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea
SMILESCc1nc(NC(=O)NC2(c3ccccc3)CCC2)oc1C
InChIInChI=1S/C16H19N3O2/c1-11-12(2)21-15(17-11)18-14(20)19-16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYDRBHQKFPICTOC-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.49
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea (PubChem CID 71936890) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea
PubChem CID71936890
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea
SMILESCc1nc(NC(=O)NC2(c3ccccc3)CCC2)oc1C
InChIInChI=1S/C16H19N3O2/c1-11-12(2)21-15(17-11)18-14(20)19-16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYDRBHQKFPICTOC-UHFFFAOYSA-N
XLogP3.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea (CID 71936890) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea is Cc1nc(NC(=O)NC2(c3ccccc3)CCC2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea?
The InChIKey is YDRBHQKFPICTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-12(2)21-15(17-11)18-14(20)19-16(9-6-10-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 71936890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).