1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

C15H24N4O3 — CID 71989910

IUPAC1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)NC2CCN(C)C2=O)on1
InChIInChI=1S/C15H24N4O3/c1-4-10(5-2)13-8-11(22-18-13)9-16-15(21)17-12-6-7-19(3)14(12)20/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,21)
InChIKeyYMHWCXNZEZTFLN-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.61
Rot. Bonds6

About 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 71989910) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID71989910
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCCC(CC)c1cc(CNC(=O)NC2CCN(C)C2=O)on1
InChIInChI=1S/C15H24N4O3/c1-4-10(5-2)13-8-11(22-18-13)9-16-15(21)17-12-6-7-19(3)14(12)20/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,21)
InChIKeyYMHWCXNZEZTFLN-UHFFFAOYSA-N
XLogP1.61
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea (CID 71989910) is 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is CCC(CC)c1cc(CNC(=O)NC2CCN(C)C2=O)on1.
What is the InChIKey of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is YMHWCXNZEZTFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-10(5-2)13-8-11(22-18-13)9-16-15(21)17-12-6-7-19(3)14(12)20/h8,10,12H,4-7,9H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea?
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 308.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 71989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).