3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

C20H17Cl2N5O2 — CID 133331203

IUPAC3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(C(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)c2nccn2C)cc1
InChIInChI=1S/C20H17Cl2N5O2/c1-27-8-7-23-19(27)17(12-3-5-16(28-2)6-4-12)24-20-25-18(26-29-20)13-9-14(21)11-15(22)10-13/h3-11,17H,1-2H3,(H,24,25,26)
InChIKeyVOYRXCQETKJCBU-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.99
Rot. Bonds6

About 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133331203) has the molecular formula C20H17Cl2N5O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133331203
Molecular FormulaC20H17Cl2N5O2
Molecular Weight430.30 g/mol
Exact Mass429.08
IUPAC Name3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(C(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)c2nccn2C)cc1
InChIInChI=1S/C20H17Cl2N5O2/c1-27-8-7-23-19(27)17(12-3-5-16(28-2)6-4-12)24-20-25-18(26-29-20)13-9-14(21)11-15(22)10-13/h3-11,17H,1-2H3,(H,24,25,26)
InChIKeyVOYRXCQETKJCBU-UHFFFAOYSA-N
XLogP4.99
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133331050
4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 94497913
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 42941869
1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40939556
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749
6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyrazine-2-carboxamide
CID 96566827

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 133331203) is 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is COc1ccc(C(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)c2nccn2C)cc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is VOYRXCQETKJCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O2/c1-27-8-7-23-19(27)17(12-3-5-16(28-2)6-4-12)24-20-25-18(26-29-20)13-9-14(21)11-15(22)10-13/h3-11,17H,1-2H3,(H,24,25,26).
What are the key properties of 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 430.30 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133331203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).