1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C16H18N4O4 — CID 18564291

IUPAC1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C16H18N4O4/c1-10-7-14(19-24-10)18-16(22)17-11-8-15(21)20(9-11)12-3-5-13(23-2)6-4-12/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19,22)
InChIKeyPTGNTHFUDVUGOZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.92
Rot. Bonds4

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

1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 18564291) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID18564291
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(N2CC(NC(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C16H18N4O4/c1-10-7-14(19-24-10)18-16(22)17-11-8-15(21)20(9-11)12-3-5-13(23-2)6-4-12/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19,22)
InChIKeyPTGNTHFUDVUGOZ-UHFFFAOYSA-N
XLogP1.92
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 18564291) is 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1ccc(N2CC(NC(=O)Nc3cc(C)on3)CC2=O)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is PTGNTHFUDVUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10-7-14(19-24-10)18-16(22)17-11-8-15(21)20(9-11)12-3-5-13(23-2)6-4-12/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 330.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 18564291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).