1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea

C11H18N4O2 — CID 53499685

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCc1cc(NC(=O)NCCN2CCCC2)no1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(14-17-9)13-11(16)12-4-7-15-5-2-3-6-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyHOAMYHVJRCJYCN-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.20
Rot. Bonds4

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 53499685) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID53499685
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea
SMILESCc1cc(NC(=O)NCCN2CCCC2)no1
InChIInChI=1S/C11H18N4O2/c1-9-8-10(14-17-9)13-11(16)12-4-7-15-5-2-3-6-15/h8H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyHOAMYHVJRCJYCN-UHFFFAOYSA-N
XLogP1.20
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea (CID 53499685) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea is Cc1cc(NC(=O)NCCN2CCCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is HOAMYHVJRCJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-8-10(14-17-9)13-11(16)12-4-7-15-5-2-3-6-15/h8H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 53499685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).