1-(1,3-oxazol-4-ylmethyl)-3-propylurea

C8H13N3O2 — CID 110747870

IUPAC1-(1,3-oxazol-4-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1cocn1
InChIInChI=1S/C8H13N3O2/c1-2-3-9-8(12)10-4-7-5-13-6-11-7/h5-6H,2-4H2,1H3,(H2,9,10,12)
InChIKeyLIZFUTDLYPUJTQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.88
Rot. Bonds4

About 1-(1,3-oxazol-4-ylmethyl)-3-propylurea

1-(1,3-oxazol-4-ylmethyl)-3-propylurea (PubChem CID 110747870) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1,3-oxazol-4-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(1,3-oxazol-4-ylmethyl)-3-propylurea
PubChem CID110747870
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(1,3-oxazol-4-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1cocn1
InChIInChI=1S/C8H13N3O2/c1-2-3-9-8(12)10-4-7-5-13-6-11-7/h5-6H,2-4H2,1H3,(H2,9,10,12)
InChIKeyLIZFUTDLYPUJTQ-UHFFFAOYSA-N
XLogP0.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-4-ylmethyl)-3-propylurea?
The IUPAC name of 1-(1,3-oxazol-4-ylmethyl)-3-propylurea (CID 110747870) is 1-(1,3-oxazol-4-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-(1,3-oxazol-4-ylmethyl)-3-propylurea?
The canonical SMILES for 1-(1,3-oxazol-4-ylmethyl)-3-propylurea is CCCNC(=O)NCc1cocn1.
What is the InChIKey of 1-(1,3-oxazol-4-ylmethyl)-3-propylurea?
The InChIKey is LIZFUTDLYPUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-9-8(12)10-4-7-5-13-6-11-7/h5-6H,2-4H2,1H3,(H2,9,10,12).
What are the key properties of 1-(1,3-oxazol-4-ylmethyl)-3-propylurea?
1-(1,3-oxazol-4-ylmethyl)-3-propylurea has a molecular weight of 183.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-4-ylmethyl)-3-propylurea is sourced from PubChem (CID 110747870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).