4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

C17H22N4O3 — CID 90650930

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESO=C(CCCN1Cc2ccccc2C1)NCCc1noc(CO)n1
InChIInChI=1S/C17H22N4O3/c22-12-17-19-15(20-24-17)7-8-18-16(23)6-3-9-21-10-13-4-1-2-5-14(13)11-21/h1-2,4-5,22H,3,6-12H2,(H,18,23)
InChIKeyFXVASJDYEGSSRE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.02
Rot. Bonds8

About 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide

4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (PubChem CID 90650930) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
PubChem CID90650930
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
SMILESO=C(CCCN1Cc2ccccc2C1)NCCc1noc(CO)n1
InChIInChI=1S/C17H22N4O3/c22-12-17-19-15(20-24-17)7-8-18-16(23)6-3-9-21-10-13-4-1-2-5-14(13)11-21/h1-2,4-5,22H,3,6-12H2,(H,18,23)
InChIKeyFXVASJDYEGSSRE-UHFFFAOYSA-N
XLogP1.02
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
CID 154775188
2-[4-(1,3-dihydroisoindol-2-yl)butanoylamino]acetic acid
CID 121497297
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 91907346
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851570
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 86986082
4-(1H-benzimidazol-2-yl)-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide
CID 91917705
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 119062020
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851572
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide (CID 90650930) is 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is O=C(CCCN1Cc2ccccc2C1)NCCc1noc(CO)n1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
The InChIKey is FXVASJDYEGSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-12-17-19-15(20-24-17)7-8-18-16(23)6-3-9-21-10-13-4-1-2-5-14(13)11-21/h1-2,4-5,22H,3,6-12H2,(H,18,23).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide?
4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide has a molecular weight of 330.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]butanamide is sourced from PubChem (CID 90650930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).