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

C10H17N3O2 — CID 47360467

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H17N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyAXCJEUZCJKCWSM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.50
Rot. Bonds4

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea (PubChem CID 47360467) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
PubChem CID47360467
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H17N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyAXCJEUZCJKCWSM-UHFFFAOYSA-N
XLogP1.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea (CID 47360467) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea is CCCNC(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea?
The InChIKey is AXCJEUZCJKCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-11-10(14)12-6-9-13-7(2)8(3)15-9/h4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea has a molecular weight of 211.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 47360467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).