4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C21H19N5O3 — CID 97074910

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCc1nnc(-c2ccc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)cc2)o1
InChIInChI=1S/C21H19N5O3/c1-13(20-23-18(26-29-20)15-6-4-3-5-7-15)12-22-19(27)16-8-10-17(11-9-16)21-25-24-14(2)28-21/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyXMZUYLONSLFEFZ-CYBMUJFWSA-N
MW389.42 g/mol
LogP3.63
Rot. Bonds6

About 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 97074910) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID97074910
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCc1nnc(-c2ccc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)cc2)o1
InChIInChI=1S/C21H19N5O3/c1-13(20-23-18(26-29-20)15-6-4-3-5-7-15)12-22-19(27)16-8-10-17(11-9-16)21-25-24-14(2)28-21/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyXMZUYLONSLFEFZ-CYBMUJFWSA-N
XLogP3.63
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540039
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 97098367
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(quinolin-4-ylmethyl)benzamide
CID 71863321
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 110693245
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 17480200

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 97074910) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is Cc1nnc(-c2ccc(C(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)cc2)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is XMZUYLONSLFEFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(20-23-18(26-29-20)15-6-4-3-5-7-15)12-22-19(27)16-8-10-17(11-9-16)21-25-24-14(2)28-21/h3-11,13H,12H2,1-2H3,(H,22,27)/t13-/m1/s1.
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 389.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 97074910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).