N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide

C22H25N3O3 — CID 2987565

IUPACN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C(C)C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)25(22(26)19-11-6-15(3)12-16(19)4)13-20-23-21(24-28-20)17-7-9-18(27-5)10-8-17/h6-12,14H,13H2,1-5H3
InChIKeySCNQQZQNMZFGDO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.41
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide

N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide (PubChem CID 2987565) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide
PubChem CID2987565
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C(C)C)n2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)25(22(26)19-11-6-15(3)12-16(19)4)13-20-23-21(24-28-20)17-7-9-18(27-5)10-8-17/h6-12,14H,13H2,1-5H3
InChIKeySCNQQZQNMZFGDO-UHFFFAOYSA-N
XLogP4.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-8529
CID 25125217
(2S)-2-[3-(6-butoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052139
N-isopropyl-3,5-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2223954
1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16187492
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
N-Isopropyl-N-((3-p-tolyl-1,2,4-oxadiazol-5-yl)methyl)-2-(p-tolyloxy)acetamide
CID 2215326
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 71664038
(2S)-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052140
2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-ethylamino]-N,N-dimethylacetamide
CID 58344529
2-[[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-methylamino]-N,N-dimethylacetamide
CID 58344662

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide (CID 2987565) is N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide is COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C(C)C)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is SCNQQZQNMZFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)25(22(26)19-11-6-15(3)12-16(19)4)13-20-23-21(24-28-20)17-7-9-18(27-5)10-8-17/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide?
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 2987565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).