trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

C18H19Cl2N3O4 — CID 7678995

IUPACtrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1OC
InChIInChI=1S/C18H19Cl2N3O4/c1-18(2)10(8-13(19)20)14(18)17(24)21-16-15(22-27-23-16)9-5-6-11(25-3)12(7-9)26-4/h5-8,10,14H,1-4H3,(H,21,23,24)/t10-,14-/m0/s1
InChIKeyLQTQDGHTAQJPRQ-HZMBPMFUSA-N
MW412.27 g/mol
LogP4.28
Rot. Bonds6

About trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 7678995) has the molecular formula C18H19Cl2N3O4 and a molecular weight of 412.27 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID7678995
Molecular FormulaC18H19Cl2N3O4
Molecular Weight412.27 g/mol
Exact Mass411.08
IUPAC Nametrans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOc1ccc(-c2nonc2NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1OC
InChIInChI=1S/C18H19Cl2N3O4/c1-18(2)10(8-13(19)20)14(18)17(24)21-16-15(22-27-23-16)9-5-6-11(25-3)12(7-9)26-4/h5-8,10,14H,1-4H3,(H,21,23,24)/t10-,14-/m0/s1
InChIKeyLQTQDGHTAQJPRQ-HZMBPMFUSA-N
XLogP4.28
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 7678994
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 7711257
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678125
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
benzene;bis(2-(4-chlorophenoxy)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]acetamide)
CID 175653131
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
CID 17014046

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 7678995) is trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is COc1ccc(-c2nonc2NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1OC.
What is the InChIKey of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is LQTQDGHTAQJPRQ-HZMBPMFUSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4/c1-18(2)10(8-13(19)20)14(18)17(24)21-16-15(22-27-23-16)9-5-6-11(25-3)12(7-9)26-4/h5-8,10,14H,1-4H3,(H,21,23,24)/t10-,14-/m0/s1.
What are the key properties of trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 412.27 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2,2-dichloroethenyl)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 7678995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).