5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C19H18N2O2 — CID 154797697

IUPAC5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1C1(c2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)17-20-18(23-21-17)19(11-12-19)15-9-5-6-10-16(15)22-2/h3-10H,11-12H2,1-2H3
InChIKeyQRUKUHHFAUONAK-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.13
Rot. Bonds4

About 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 154797697) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID154797697
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1C1(c2nc(-c3ccccc3C)no2)CC1
InChIInChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)17-20-18(23-21-17)19(11-12-19)15-9-5-6-10-16(15)22-2/h3-10H,11-12H2,1-2H3
InChIKeyQRUKUHHFAUONAK-UHFFFAOYSA-N
XLogP4.13
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
methyl 1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734676
3-(2-methylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983333
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
3-ethoxy-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclobutan-1-amine
CID 120835501
1-[5-[1-(2-methylphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862454
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 46265168
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62594321
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
N-cyclopropyl-3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 55096100

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 154797697) is 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1C1(c2nc(-c3ccccc3C)no2)CC1.
What is the InChIKey of 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is QRUKUHHFAUONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)17-20-18(23-21-17)19(11-12-19)15-9-5-6-10-16(15)22-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)cyclopropyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).