1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea

C16H18N4O3 — CID 118795968

IUPAC1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCc2ccon2)cc1N1CCCC1=O
InChIInChI=1S/C16H18N4O3/c1-11-4-5-12(9-14(11)20-7-2-3-15(20)21)18-16(22)17-10-13-6-8-23-19-13/h4-6,8-9H,2-3,7,10H2,1H3,(H2,17,18,22)
InChIKeyXNAXAEINXFFAGM-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.43
Rot. Bonds4

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

1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 118795968) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID118795968
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCc2ccon2)cc1N1CCCC1=O
InChIInChI=1S/C16H18N4O3/c1-11-4-5-12(9-14(11)20-7-2-3-15(20)21)18-16(22)17-10-13-6-8-23-19-13/h4-6,8-9H,2-3,7,10H2,1H3,(H2,17,18,22)
InChIKeyXNAXAEINXFFAGM-UHFFFAOYSA-N
XLogP2.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 118795968) is 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is Cc1ccc(NC(=O)NCc2ccon2)cc1N1CCCC1=O.
What is the InChIKey of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is XNAXAEINXFFAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-4-5-12(9-14(11)20-7-2-3-15(20)21)18-16(22)17-10-13-6-8-23-19-13/h4-6,8-9H,2-3,7,10H2,1H3,(H2,17,18,22).
What are the key properties of 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 314.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 118795968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).