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

C11H19N3O3 — CID 47361631

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H19N3O3/c1-8-9(2)17-10(14-8)7-13-11(15)12-5-4-6-16-3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyIEJWVHQGPKEEOR-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.13
Rot. Bonds6

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

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea (PubChem CID 47361631) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
PubChem CID47361631
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H19N3O3/c1-8-9(2)17-10(14-8)7-13-11(15)12-5-4-6-16-3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyIEJWVHQGPKEEOR-UHFFFAOYSA-N
XLogP1.13
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea (CID 47361631) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea?
The InChIKey is IEJWVHQGPKEEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-9(2)17-10(14-8)7-13-11(15)12-5-4-6-16-3/h4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea has a molecular weight of 241.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).