N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C22H25N3O4 — CID 55551923

IUPACN-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2nc(-c3ccco3)no2)C(C)C2CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-15(17-7-8-17)25(14-16-5-9-18(27-2)10-6-16)21(26)12-11-20-23-22(24-29-20)19-4-3-13-28-19/h3-6,9-10,13,15,17H,7-8,11-12,14H2,1-2H3
InChIKeyINILVSWJEDHJHY-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.10
Rot. Bonds9

About N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide

N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 55551923) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID55551923
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)CCc2nc(-c3ccco3)no2)C(C)C2CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-15(17-7-8-17)25(14-16-5-9-18(27-2)10-6-16)21(26)12-11-20-23-22(24-29-20)19-4-3-13-28-19/h3-6,9-10,13,15,17H,7-8,11-12,14H2,1-2H3
InChIKeyINILVSWJEDHJHY-UHFFFAOYSA-N
XLogP4.10
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553176
N-(1-aminopropan-2-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119582562
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 70753269
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 55575014
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 46985361
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092733
(7-methoxynaphthalen-2-yl) 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 36808276
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 35701708
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-[(2-chlorophenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 36702512

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 55551923) is N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)CCc2nc(-c3ccco3)no2)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is INILVSWJEDHJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(17-7-8-17)25(14-16-5-9-18(27-2)10-6-16)21(26)12-11-20-23-22(24-29-20)19-4-3-13-28-19/h3-6,9-10,13,15,17H,7-8,11-12,14H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55551923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).