4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide

C21H23N3O4 — CID 7692796

IUPAC4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-21(2,3)15-9-6-13(7-10-15)20(25)22-19-18(23-28-24-19)14-8-11-16(26-4)17(12-14)27-5/h6-12H,1-5H3,(H,22,24,25)
InChIKeyPKESKTFQLKUIFD-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.30
Rot. Bonds5

About 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide

4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 7692796) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID7692796
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-21(2,3)15-9-6-13(7-10-15)20(25)22-19-18(23-28-24-19)14-8-11-16(26-4)17(12-14)27-5/h6-12H,1-5H3,(H,22,24,25)
InChIKeyPKESKTFQLKUIFD-UHFFFAOYSA-N
XLogP4.30
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
CID 7680603
N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17013592
benzene;tris(N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methoxybenzamide)
CID 175653128
4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244598
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-ethoxybenzamide
CID 7711063
N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-propoxybenzamide
CID 7646628
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 7711257
(E)-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-3-phenylprop-2-enamide
CID 7693268
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-tert-butyl-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867237
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 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 7692796) is 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide is COc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is PKESKTFQLKUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-21(2,3)15-9-6-13(7-10-15)20(25)22-19-18(23-28-24-19)14-8-11-16(26-4)17(12-14)27-5/h6-12H,1-5H3,(H,22,24,25).
What are the key properties of 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 7692796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).