2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole

C25H26N4O3 — CID 19542447

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(/C=C\c2nnc(CCn3nc(C)cc3C)o2)cc1COc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-18-15-19(2)29(28-18)14-13-25-27-26-24(32-25)12-10-20-9-11-23(30-3)21(16-20)17-31-22-7-5-4-6-8-22/h4-12,15-16H,13-14,17H2,1-3H3/b12-10-
InChIKeyJNKAZELWSUNFQP-BENRWUELSA-N
MW430.51 g/mol
LogP4.88
Rot. Bonds9

About 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole (PubChem CID 19542447) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole
PubChem CID19542447
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole
SMILESCOc1ccc(/C=C\c2nnc(CCn3nc(C)cc3C)o2)cc1COc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-18-15-19(2)29(28-18)14-13-25-27-26-24(32-25)12-10-20-9-11-23(30-3)21(16-20)17-31-22-7-5-4-6-8-22/h4-12,15-16H,13-14,17H2,1-3H3/b12-10-
InChIKeyJNKAZELWSUNFQP-BENRWUELSA-N
XLogP4.88
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19542455
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542401
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
(E)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19293671
(E)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19409568
2-(1,3-benzodioxol-5-yl)-5-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazole
CID 19542407
3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 708263
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542406
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[5-(naphthalen-1-yloxymethyl)furan-2-yl]-1,3,4-oxadiazole
CID 19542141
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
(E)-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543341
(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19400883

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole (CID 19542447) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole is COc1ccc(/C=C\c2nnc(CCn3nc(C)cc3C)o2)cc1COc1ccccc1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
The InChIKey is JNKAZELWSUNFQP-BENRWUELSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-15-19(2)29(28-18)14-13-25-27-26-24(32-25)12-10-20-9-11-23(30-3)21(16-20)17-31-22-7-5-4-6-8-22/h4-12,15-16H,13-14,17H2,1-3H3/b12-10-.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 430.51 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).