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

C9H15N3O2 — CID 115672493

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1onc(C)c1C
InChIInChI=1S/C9H15N3O2/c1-4-5-10-9(13)11-8-6(2)7(3)12-14-8/h4-5H2,1-3H3,(H2,10,11,13)
InChIKeyVKQGKSOENAVPPY-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.82
Rot. Bonds3

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

1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea (PubChem CID 115672493) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
PubChem CID115672493
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1onc(C)c1C
InChIInChI=1S/C9H15N3O2/c1-4-5-10-9(13)11-8-6(2)7(3)12-14-8/h4-5H2,1-3H3,(H2,10,11,13)
InChIKeyVKQGKSOENAVPPY-UHFFFAOYSA-N
XLogP1.82
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea (CID 115672493) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea is CCCNC(=O)Nc1onc(C)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea?
The InChIKey is VKQGKSOENAVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-10-9(13)11-8-6(2)7(3)12-14-8/h4-5H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea has a molecular weight of 197.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea is sourced from PubChem (CID 115672493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).