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

C20H26N4O3 — CID 74236971

IUPAC1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCC(C)Cc1cc(CNC(=O)Nc2ccc(N3C(=O)CCC3C)cc2)no1
InChIInChI=1S/C20H26N4O3/c1-13(2)10-18-11-16(23-27-18)12-21-20(26)22-15-5-7-17(8-6-15)24-14(3)4-9-19(24)25/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H2,21,22,26)
InChIKeyIFDLOYFLNJGGLO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.71
Rot. Bonds6

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

1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea (PubChem CID 74236971) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
PubChem CID74236971
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCC(C)Cc1cc(CNC(=O)Nc2ccc(N3C(=O)CCC3C)cc2)no1
InChIInChI=1S/C20H26N4O3/c1-13(2)10-18-11-16(23-27-18)12-21-20(26)22-15-5-7-17(8-6-15)24-14(3)4-9-19(24)25/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H2,21,22,26)
InChIKeyIFDLOYFLNJGGLO-UHFFFAOYSA-N
XLogP3.71
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea with MolForge

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Related Compounds

N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 131892415
1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 72939283
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 131948204
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 49282481
1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
CID 131888969
1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 72901304
(2R)-2-amino-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
CID 56864135
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]urea
CID 97434234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea (CID 74236971) is 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea is CC(C)Cc1cc(CNC(=O)Nc2ccc(N3C(=O)CCC3C)cc2)no1.
What is the InChIKey of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is IFDLOYFLNJGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)10-18-11-16(23-27-18)12-21-20(26)22-15-5-7-17(8-6-15)24-14(3)4-9-19(24)25/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea?
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 370.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 74236971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).