N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide

C22H26N4O3 — CID 51924806

IUPACN-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN[C@H](c2ccccc2)C(C)C)n1
InChIInChI=1S/C22H26N4O3/c1-15(2)22(16-9-5-4-6-10-16)23-14-21-25-19(26-29-21)13-20(27)24-17-11-7-8-12-18(17)28-3/h4-12,15,22-23H,13-14H2,1-3H3,(H,24,27)/t22-/m0/s1
InChIKeyRNTJZHWPEFQTNA-QFIPXVFZSA-N
MW394.48 g/mol
LogP3.75
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide

N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 51924806) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID51924806
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CN[C@H](c2ccccc2)C(C)C)n1
InChIInChI=1S/C22H26N4O3/c1-15(2)22(16-9-5-4-6-10-16)23-14-21-25-19(26-29-21)13-20(27)24-17-11-7-8-12-18(17)28-3/h4-12,15,22-23H,13-14H2,1-3H3,(H,24,27)/t22-/m0/s1
InChIKeyRNTJZHWPEFQTNA-QFIPXVFZSA-N
XLogP3.75
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
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CID 27100650
2-[5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 2497203
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CID 4965395
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 43027762
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CID 16587947
N-(2-methoxyphenyl)-2-[5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 17431109
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 27535184
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-4-methylsulfanylbenzoate
CID 2450914
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578280
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 3618480
2-[5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27010848

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 51924806) is N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide is COc1ccccc1NC(=O)Cc1noc(CN[C@H](c2ccccc2)C(C)C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is RNTJZHWPEFQTNA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)22(16-9-5-4-6-10-16)23-14-21-25-19(26-29-21)13-20(27)24-17-11-7-8-12-18(17)28-3/h4-12,15,22-23H,13-14H2,1-3H3,(H,24,27)/t22-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 51924806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).