4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

C22H21ClN6O2 — CID 161403453

IUPAC4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2cccc(Cl)c2)o1.[H][H]
InChIInChI=1S/C22H19ClN6O2.H2/c1-13-19(20-27-28-22(31-20)25-17-6-4-5-16(23)11-17)26-18(12-24-13)14-7-9-15(10-8-14)21(30)29(2)3;/h4-12H,1-3H3,(H,25,28);1H
InChIKeyVUNLTGXCQNHNEO-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.85
Rot. Bonds5

About 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (PubChem CID 161403453) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
PubChem CID161403453
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2cccc(Cl)c2)o1.[H][H]
InChIInChI=1S/C22H19ClN6O2.H2/c1-13-19(20-27-28-22(31-20)25-17-6-4-5-16(23)11-17)26-18(12-24-13)14-7-9-15(10-8-14)21(30)29(2)3;/h4-12H,1-3H3,(H,25,28);1H
InChIKeyVUNLTGXCQNHNEO-UHFFFAOYSA-N
XLogP4.85
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen with MolForge

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Related Compounds

Sch-900875
CID 11997335
[4-[(2S,5R)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(4-chlorophenyl)methanone
CID 11997336
CID 58768027
CID 58768027
(4-chlorophenyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
CID 58768048
(4-chlorophenyl)-[4-[(2S,5R)-2-ethyl-5-methyl-4-[3-methyl-5-[5-(methylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
CID 58768069
3-chloro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4056807
US11390631, Example 307
CID 134461348
US11390631, Example 302
CID 134461630
4-[5-Amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-n,n-dimethyl-benzamide
CID 59471614
4-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl)-N,N-dimethylbenzamide
CID 59471630
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethyl-benzamide
CID 59471640
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The IUPAC name of 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (CID 161403453) is 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.
What is the SMILES notation for 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The canonical SMILES for 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2cccc(Cl)c2)o1.[H][H].
What is the InChIKey of 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The InChIKey is VUNLTGXCQNHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2.H2/c1-13-19(20-27-28-22(31-20)25-17-6-4-5-16(23)11-17)26-18(12-24-13)14-7-9-15(10-8-14)21(30)29(2)3;/h4-12H,1-3H3,(H,25,28);1H.
What are the key properties of 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen has a molecular weight of 436.90 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is sourced from PubChem (CID 161403453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).