3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide

C18H24N4O4 — CID 87001782

IUPAC3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)17-21-15(26-22-17)9-8-14(23)20-12-10-11(16(24)19-4)6-7-13(12)25-5/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyOWKWPTQFDCVEPE-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.31
Rot. Bonds6

About 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide

3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide (PubChem CID 87001782) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
PubChem CID87001782
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)17-21-15(26-22-17)9-8-14(23)20-12-10-11(16(24)19-4)6-7-13(12)25-5/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,23)
InChIKeyOWKWPTQFDCVEPE-UHFFFAOYSA-N
XLogP2.31
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-methyl-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 87001861
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 60540970
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55683955
N-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781962
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
N-(5-bromo-2-methoxyphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55906686
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide (CID 87001782) is 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)CCc2nc(C(C)(C)C)no2)c1.
What is the InChIKey of 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide?
The InChIKey is OWKWPTQFDCVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2,3)17-21-15(26-22-17)9-8-14(23)20-12-10-11(16(24)19-4)6-7-13(12)25-5/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,23).
What are the key properties of 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide?
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 87001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).