1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

C18H21N5O4 — CID 125162893

IUPAC1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCc1noc([C@@H]2CCCO2)n1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H21N5O4/c24-16-7-2-8-23(16)13-5-1-4-12(10-13)20-18(25)19-11-15-21-17(27-22-15)14-6-3-9-26-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,19,20,25)/t14-/m0/s1
InChIKeyPFHGKPXUXIJIJC-AWEZNQCLSA-N
MW371.40 g/mol
LogP2.37
Rot. Bonds5

About 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 125162893) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID125162893
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCc1noc([C@@H]2CCCO2)n1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H21N5O4/c24-16-7-2-8-23(16)13-5-1-4-12(10-13)20-18(25)19-11-15-21-17(27-22-15)14-6-3-9-26-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,19,20,25)/t14-/m0/s1
InChIKeyPFHGKPXUXIJIJC-AWEZNQCLSA-N
XLogP2.37
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
CID 97453495
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 47033900
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
CID 125167789
1-[3-(furan-2-yl)phenyl]-3-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 72926461
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 41119372
2-(oxolan-2-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 126774162
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30035425
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 125162893) is 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(NCc1noc([C@@H]2CCCO2)n1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is PFHGKPXUXIJIJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-16-7-2-8-23(16)13-5-1-4-12(10-13)20-18(25)19-11-15-21-17(27-22-15)14-6-3-9-26-14/h1,4-5,10,14H,2-3,6-9,11H2,(H2,19,20,25)/t14-/m0/s1.
What are the key properties of 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 371.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 125162893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).