N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C18H18N4O4 — CID 55891990

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C18H18N4O4/c23-14(19-10-15-20-16(21-26-15)11-7-8-11)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,11H,3,6-10H2,(H,19,23)
InChIKeyRFHTYDVALVOQEN-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.64
Rot. Bonds7

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 55891990) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID55891990
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nc(C2CC2)no1
InChIInChI=1S/C18H18N4O4/c23-14(19-10-15-20-16(21-26-15)11-7-8-11)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,11H,3,6-10H2,(H,19,23)
InChIKeyRFHTYDVALVOQEN-UHFFFAOYSA-N
XLogP1.64
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 92801404
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
4-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 8835515
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 97194233
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 50755093
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]cyclohexanecarboxamide
CID 108538961
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 110660366
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110318736
5-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110561
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 55891990) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is RFHTYDVALVOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-14(19-10-15-20-16(21-26-15)11-7-8-11)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,11H,3,6-10H2,(H,19,23).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 354.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 55891990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).