6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide

C22H23N3O5 — CID 170506110

IUPAC6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1ccc(-c2noc(C(C)NC(=O)c3c(C)cc(C4CCC4)oc3=O)n2)cc1
InChIInChI=1S/C22H23N3O5/c1-12-11-17(14-5-4-6-14)29-22(27)18(12)20(26)23-13(2)21-24-19(25-30-21)15-7-9-16(28-3)10-8-15/h7-11,13-14H,4-6H2,1-3H3,(H,23,26)
InChIKeySQIVPHMBWCXEQO-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.77
Rot. Bonds6

About 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide

6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170506110) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170506110
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1ccc(-c2noc(C(C)NC(=O)c3c(C)cc(C4CCC4)oc3=O)n2)cc1
InChIInChI=1S/C22H23N3O5/c1-12-11-17(14-5-4-6-14)29-22(27)18(12)20(26)23-13(2)21-24-19(25-30-21)15-7-9-16(28-3)10-8-15/h7-11,13-14H,4-6H2,1-3H3,(H,23,26)
InChIKeySQIVPHMBWCXEQO-UHFFFAOYSA-N
XLogP3.77
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 55137901

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170506110) is 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide is COc1ccc(-c2noc(C(C)NC(=O)c3c(C)cc(C4CCC4)oc3=O)n2)cc1.
What is the InChIKey of 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is SQIVPHMBWCXEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-12-11-17(14-5-4-6-14)29-22(27)18(12)20(26)23-13(2)21-24-19(25-30-21)15-7-9-16(28-3)10-8-15/h7-11,13-14H,4-6H2,1-3H3,(H,23,26).
What are the key properties of 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170506110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).