1-(1,2-oxazol-3-ylmethyl)-3-propylurea

C8H13N3O2 — CID 115672343

IUPAC1-(1,2-oxazol-3-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1ccon1
InChIInChI=1S/C8H13N3O2/c1-2-4-9-8(12)10-6-7-3-5-13-11-7/h3,5H,2,4,6H2,1H3,(H2,9,10,12)
InChIKeyAZQCWXNIURJNQA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.88
Rot. Bonds4

About 1-(1,2-oxazol-3-ylmethyl)-3-propylurea

1-(1,2-oxazol-3-ylmethyl)-3-propylurea (PubChem CID 115672343) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethyl)-3-propylurea.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethyl)-3-propylurea
PubChem CID115672343
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(1,2-oxazol-3-ylmethyl)-3-propylurea
SMILESCCCNC(=O)NCc1ccon1
InChIInChI=1S/C8H13N3O2/c1-2-4-9-8(12)10-6-7-3-5-13-11-7/h3,5H,2,4,6H2,1H3,(H2,9,10,12)
InChIKeyAZQCWXNIURJNQA-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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Related Compounds

1-[2-(1,2-oxazol-3-ylmethylamino)ethylsulfanyl]-3-propylurea
CID 88826570
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
1-(1,3-oxazol-4-ylmethyl)-3-propylurea
CID 110747870
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
1-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96834732
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-propylurea?
The IUPAC name of 1-(1,2-oxazol-3-ylmethyl)-3-propylurea (CID 115672343) is 1-(1,2-oxazol-3-ylmethyl)-3-propylurea.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethyl)-3-propylurea?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethyl)-3-propylurea is CCCNC(=O)NCc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethyl)-3-propylurea?
The InChIKey is AZQCWXNIURJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-4-9-8(12)10-6-7-3-5-13-11-7/h3,5H,2,4,6H2,1H3,(H2,9,10,12).
What are the key properties of 1-(1,2-oxazol-3-ylmethyl)-3-propylurea?
1-(1,2-oxazol-3-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-(1,2-oxazol-3-ylmethyl)-3-propylurea is sourced from PubChem (CID 115672343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).