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

C10H15N3O3 — CID 115759373

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea
SMILESCc1noc(NC(=O)NC2CCOC2)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)13-16-9(6)12-10(14)11-8-3-4-15-5-8/h8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyUEPDRCUXHHWLNR-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.20
Rot. Bonds2

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

1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea (PubChem CID 115759373) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea
PubChem CID115759373
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea
SMILESCc1noc(NC(=O)NC2CCOC2)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)13-16-9(6)12-10(14)11-8-3-4-15-5-8/h8H,3-5H2,1-2H3,(H2,11,12,14)
InChIKeyUEPDRCUXHHWLNR-UHFFFAOYSA-N
XLogP1.20
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea (CID 115759373) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea is Cc1noc(NC(=O)NC2CCOC2)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea?
The InChIKey is UEPDRCUXHHWLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(2)13-16-9(6)12-10(14)11-8-3-4-15-5-8/h8H,3-5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea has a molecular weight of 225.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115759373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).