1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea

C18H19N5O5 — CID 167852396

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea
SMILESO=C1CCC(CO)(NC(=O)Nc2ccccc2-c2nc(C3CC3)no2)C(=O)N1
InChIInChI=1S/C18H19N5O5/c24-9-18(8-7-13(25)20-16(18)26)22-17(27)19-12-4-2-1-3-11(12)15-21-14(23-28-15)10-5-6-10/h1-4,10,24H,5-9H2,(H2,19,22,27)(H,20,25,26)
InChIKeyRCQCQGMADOFHFH-UHFFFAOYSA-N
MW385.38 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea (PubChem CID 167852396) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea
PubChem CID167852396
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea
SMILESO=C1CCC(CO)(NC(=O)Nc2ccccc2-c2nc(C3CC3)no2)C(=O)N1
InChIInChI=1S/C18H19N5O5/c24-9-18(8-7-13(25)20-16(18)26)22-17(27)19-12-4-2-1-3-11(12)15-21-14(23-28-15)10-5-6-10/h1-4,10,24H,5-9H2,(H2,19,22,27)(H,20,25,26)
InChIKeyRCQCQGMADOFHFH-UHFFFAOYSA-N
XLogP0.90
TPSA146.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 75451147
1-benzhydryl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608121
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]phenyl]oxane-4-carboxamide
CID 162390206
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-3-(oxolan-2-ylmethyl)urea
CID 71865767
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
5-cyclopropyl-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 71800500
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 115336067
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111566411
1-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-fluorophenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122086081
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-fluorophenyl)urea
CID 90562232
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 65402238

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea (CID 167852396) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea is O=C1CCC(CO)(NC(=O)Nc2ccccc2-c2nc(C3CC3)no2)C(=O)N1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea?
The InChIKey is RCQCQGMADOFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c24-9-18(8-7-13(25)20-16(18)26)22-17(27)19-12-4-2-1-3-11(12)15-21-14(23-28-15)10-5-6-10/h1-4,10,24H,5-9H2,(H2,19,22,27)(H,20,25,26).
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea has a molecular weight of 385.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[3-(hydroxymethyl)-2,6-dioxopiperidin-3-yl]urea is sourced from PubChem (CID 167852396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).