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

C23H27N3O2 — CID 19244672

IUPAC4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCc1ccc(CC)c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H27N3O2/c1-6-15-8-9-16(7-2)19(14-15)20-21(26-28-25-20)24-22(27)17-10-12-18(13-11-17)23(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,26,27)
InChIKeyCADLDQVKLGWLKF-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.41
Rot. Bonds5

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

4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 19244672) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID19244672
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCCc1ccc(CC)c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H27N3O2/c1-6-15-8-9-16(7-2)19(14-15)20-21(26-28-25-20)24-22(27)17-10-12-18(13-11-17)23(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,26,27)
InChIKeyCADLDQVKLGWLKF-UHFFFAOYSA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244712
3-butoxy-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244743
4-tert-butyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 19244598
4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100668816
4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]benzamide
CID 7692796
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854419
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 23733257
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
4-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711079
2-[3-[(4-tert-butylbenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741692

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 19244672) is 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is CCc1ccc(CC)c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is CADLDQVKLGWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-6-15-8-9-16(7-2)19(14-15)20-21(26-28-25-20)24-22(27)17-10-12-18(13-11-17)23(3,4)5/h8-14H,6-7H2,1-5H3,(H,24,26,27).
What are the key properties of 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2,5-diethylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 19244672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).