3-(1,2-oxazol-3-yl)-1,1-dipropylurea

C10H17N3O2 — CID 108811952

IUPAC3-(1,2-oxazol-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccon1
InChIInChI=1S/C10H17N3O2/c1-3-6-13(7-4-2)10(14)11-9-5-8-15-12-9/h5,8H,3-4,6-7H2,1-2H3,(H,11,12,14)
InChIKeyBWQPNXWLMBVUSV-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.33
Rot. Bonds5

About 3-(1,2-oxazol-3-yl)-1,1-dipropylurea

3-(1,2-oxazol-3-yl)-1,1-dipropylurea (PubChem CID 108811952) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-1,1-dipropylurea
PubChem CID108811952
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(1,2-oxazol-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccon1
InChIInChI=1S/C10H17N3O2/c1-3-6-13(7-4-2)10(14)11-9-5-8-15-12-9/h5,8H,3-4,6-7H2,1-2H3,(H,11,12,14)
InChIKeyBWQPNXWLMBVUSV-UHFFFAOYSA-N
XLogP2.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 4114305
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 813823
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
CID 7301914
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
CID 130684719

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-1,1-dipropylurea?
The IUPAC name of 3-(1,2-oxazol-3-yl)-1,1-dipropylurea (CID 108811952) is 3-(1,2-oxazol-3-yl)-1,1-dipropylurea.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-1,1-dipropylurea?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-1,1-dipropylurea?
The InChIKey is BWQPNXWLMBVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-6-13(7-4-2)10(14)11-9-5-8-15-12-9/h5,8H,3-4,6-7H2,1-2H3,(H,11,12,14).
What are the key properties of 3-(1,2-oxazol-3-yl)-1,1-dipropylurea?
3-(1,2-oxazol-3-yl)-1,1-dipropylurea has a molecular weight of 211.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-1,1-dipropylurea is sourced from PubChem (CID 108811952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).