N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide

C20H19Cl2N3O3 — CID 17171831

IUPACN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nnc(C(C)(C)C)o2)cc1
InChIInChI=1S/C20H19Cl2N3O3/c1-20(2,3)19-25-24-18(28-19)11-5-7-13(8-6-11)23-17(26)14-9-12(21)10-15(22)16(14)27-4/h5-10H,1-4H3,(H,23,26)
InChIKeyPXNXRRDWFSGXIB-UHFFFAOYSA-N
MW420.30 g/mol
LogP5.60
Rot. Bonds4

About N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide

N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide (PubChem CID 17171831) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
PubChem CID17171831
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC NameN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nnc(C(C)(C)C)o2)cc1
InChIInChI=1S/C20H19Cl2N3O3/c1-20(2,3)19-25-24-18(28-19)11-5-7-13(8-6-11)23-17(26)14-9-12(21)10-15(22)16(14)27-4/h5-10H,1-4H3,(H,23,26)
InChIKeyPXNXRRDWFSGXIB-UHFFFAOYSA-N
XLogP5.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 17110594
3,5-dichloro-2-methoxy-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17117163
3,5-dichloro-2-methoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 4258037
3,5-dichloro-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 17128466
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-2-methoxybenzamide
CID 28866108
3,5-dichloro-2-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 17110430
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 17171735
N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 43913529
3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide
CID 17171837
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide (CID 17171831) is N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nnc(C(C)(C)C)o2)cc1.
What is the InChIKey of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
The InChIKey is PXNXRRDWFSGXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-20(2,3)19-25-24-18(28-19)11-5-7-13(8-6-11)23-17(26)14-9-12(21)10-15(22)16(14)27-4/h5-10H,1-4H3,(H,23,26).
What are the key properties of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide?
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide has a molecular weight of 420.30 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 17171831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).