N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide

C19H25Cl2N3O2 — CID 110311155

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c1-11(2)16(12-6-7-13(20)14(21)10-12)17(25)22-9-8-15-23-18(26-24-15)19(3,4)5/h6-7,10-11,16H,8-9H2,1-5H3,(H,22,25)
InChIKeyCPHNJWMTXANQNX-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.77
Rot. Bonds6

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide (PubChem CID 110311155) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide
PubChem CID110311155
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c1-11(2)16(12-6-7-13(20)14(21)10-12)17(25)22-9-8-15-23-18(26-24-15)19(3,4)5/h6-7,10-11,16H,8-9H2,1-5H3,(H,22,25)
InChIKeyCPHNJWMTXANQNX-UHFFFAOYSA-N
XLogP4.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793323
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
1-[2-(4-Chlorophenyl)acetyl]-4-(3-methyl-1,2,4-oxadiazol-5-YL)pyrrolidine-3-carboxamide
CID 91923224
(3S)-3-(4-chlorophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpropanamide
CID 97281819
1-(3,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutane-1-carboxamide
CID 132383126
(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one
CID 158613459
2-[5-[2-(4-chlorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-cyclopentylacetamide
CID 71876199
2-(3,4-Dichlorophenyl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-YL]ethyl}acetamide
CID 90648344
2-(2-Chloro-6-fluorophenyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-YL)ethyl]acetamide
CID 91830453
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110314004
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide
CID 110354951
1-(4-chlorophenyl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanecarboxamide
CID 46987829

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide (CID 110311155) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide is CC(C)C(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide?
The InChIKey is CPHNJWMTXANQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-11(2)16(12-6-7-13(20)14(21)10-12)17(25)22-9-8-15-23-18(26-24-15)19(3,4)5/h6-7,10-11,16H,8-9H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide has a molecular weight of 398.33 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dichlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 110311155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).