4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide

C19H27N3O3 — CID 51095710

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide
SMILESCCc1noc(CCCC(=O)NC(C)CCc2ccc(OC)cc2)n1
InChIInChI=1S/C19H27N3O3/c1-4-17-21-19(25-22-17)7-5-6-18(23)20-14(2)8-9-15-10-12-16(24-3)13-11-15/h10-14H,4-9H2,1-3H3,(H,20,23)
InChIKeyNTLIVARZEYTUIF-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.10
Rot. Bonds10

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide (PubChem CID 51095710) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide
PubChem CID51095710
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide
SMILESCCc1noc(CCCC(=O)NC(C)CCc2ccc(OC)cc2)n1
InChIInChI=1S/C19H27N3O3/c1-4-17-21-19(25-22-17)7-5-6-18(23)20-14(2)8-9-15-10-12-16(24-3)13-11-15/h10-14H,4-9H2,1-3H3,(H,20,23)
InChIKeyNTLIVARZEYTUIF-UHFFFAOYSA-N
XLogP3.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 94812591
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]propanamide
CID 55892359
4-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 43504099
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 51095203
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 55828587

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide (CID 51095710) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide is CCc1noc(CCCC(=O)NC(C)CCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide?
The InChIKey is NTLIVARZEYTUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-17-21-19(25-22-17)7-5-6-18(23)20-14(2)8-9-15-10-12-16(24-3)13-11-15/h10-14H,4-9H2,1-3H3,(H,20,23).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide has a molecular weight of 345.44 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]butanamide is sourced from PubChem (CID 51095710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).