5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine

C18H16ClN3O2 — CID 91685401

IUPAC5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-4-2-3-5-14(12)11-23-16-8-6-13(10-15(16)19)7-9-17-21-22-18(20)24-17/h2-10H,11H2,1H3,(H2,20,22)/b9-7+
InChIKeyAVOIIMOPABRLHP-VQHVLOKHSA-N
MW341.80 g/mol
LogP4.36
Rot. Bonds5

About 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine

5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91685401) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91685401
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-12-4-2-3-5-14(12)11-23-16-8-6-13(10-15(16)19)7-9-17-21-22-18(20)24-17/h2-10H,11H2,1H3,(H2,20,22)/b9-7+
InChIKeyAVOIIMOPABRLHP-VQHVLOKHSA-N
XLogP4.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[(E)-2-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685448
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685447
5-[(E)-2-[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685384
ethyl (E)-3-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684640
5-[(E)-2-[4-[(3,4-dichlorophenyl)methoxy]-3-iodophenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685463
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450
5-[(E)-2-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685772
5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 35754682
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
prop-2-enyl 3-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91681906
(NZ)-N-[[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681880
1-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]-3-methylpyrazole
CID 141397830

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine (CID 91685401) is 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1Cl.
What is the InChIKey of 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AVOIIMOPABRLHP-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-4-2-3-5-14(12)11-23-16-8-6-13(10-15(16)19)7-9-17-21-22-18(20)24-17/h2-10H,11H2,1H3,(H2,20,22)/b9-7+.
What are the key properties of 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine?
5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 341.80 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).