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

C21H23N3O2 — CID 110322033

IUPAC4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide
SMILESCc1nnc(C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-14-23-24-20(26-14)18(15-8-6-5-7-9-15)22-19(25)16-10-12-17(13-11-16)21(2,3)4/h5-13,18H,1-4H3,(H,22,25)
InChIKeyWSMAUBQXRVRKCJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.19
Rot. Bonds4

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

4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide (PubChem CID 110322033) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide
PubChem CID110322033
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide
SMILESCc1nnc(C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)o1
InChIInChI=1S/C21H23N3O2/c1-14-23-24-20(26-14)18(15-8-6-5-7-9-15)22-19(25)16-10-12-17(13-11-16)21(2,3)4/h5-13,18H,1-4H3,(H,22,25)
InChIKeyWSMAUBQXRVRKCJ-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]pyridine-4-carboxamide
CID 110322061
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-[(R)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 28886205
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159586
4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
N-[(S)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methoxybenzamide
CID 26791746
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide (CID 110322033) is 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide is Cc1nnc(C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)o1.
What is the InChIKey of 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is WSMAUBQXRVRKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-23-24-20(26-14)18(15-8-6-5-7-9-15)22-19(25)16-10-12-17(13-11-16)21(2,3)4/h5-13,18H,1-4H3,(H,22,25).
What are the key properties of 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide?
4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 110322033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).