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

C15H17N3O2 — CID 47435680

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea
SMILESCc1nc(NC(=O)NC2CC2c2ccccc2)oc1C
InChIInChI=1S/C15H17N3O2/c1-9-10(2)20-15(16-9)18-14(19)17-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyPZOTYAQBRGMBSV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea (PubChem CID 47435680) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea
PubChem CID47435680
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea
SMILESCc1nc(NC(=O)NC2CC2c2ccccc2)oc1C
InChIInChI=1S/C15H17N3O2/c1-9-10(2)20-15(16-9)18-14(19)17-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyPZOTYAQBRGMBSV-UHFFFAOYSA-N
XLogP2.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
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-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea (CID 47435680) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea is Cc1nc(NC(=O)NC2CC2c2ccccc2)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is PZOTYAQBRGMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-10(2)20-15(16-9)18-14(19)17-13-8-12(13)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.97, 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-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 47435680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).