N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide

C18H23N3O3 — CID 155959114

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide
SMILESCC(C)(C)c1nc(CNC(=O)CC2COCc3ccccc32)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)9-19-16(22)8-13-11-23-10-12-6-4-5-7-14(12)13/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeySJZFVIPNKHPNEE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.69
Rot. Bonds4

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide (PubChem CID 155959114) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide
PubChem CID155959114
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide
SMILESCC(C)(C)c1nc(CNC(=O)CC2COCc3ccccc32)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)9-19-16(22)8-13-11-23-10-12-6-4-5-7-14(12)13/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeySJZFVIPNKHPNEE-UHFFFAOYSA-N
XLogP2.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide (CID 155959114) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide is CC(C)(C)c1nc(CNC(=O)CC2COCc3ccccc32)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
The InChIKey is SJZFVIPNKHPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)9-19-16(22)8-13-11-23-10-12-6-4-5-7-14(12)13/h4-7,13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide is sourced from PubChem (CID 155959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).