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

C22H22N2O5 — CID 170510643

IUPAC6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)c3c(C)cc(C4CCC4)oc3=O)on2)c1
InChIInChI=1S/C22H22N2O5/c1-13-9-19(14-5-3-6-14)28-22(26)20(13)21(25)23-12-17-11-18(24-29-17)15-7-4-8-16(10-15)27-2/h4,7-11,14H,3,5-6,12H2,1-2H3,(H,23,25)
InChIKeyXKEOQLGWFUCMPA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.81
Rot. Bonds6

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

6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170510643) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170510643
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1cccc(-c2cc(CNC(=O)c3c(C)cc(C4CCC4)oc3=O)on2)c1
InChIInChI=1S/C22H22N2O5/c1-13-9-19(14-5-3-6-14)28-22(26)20(13)21(25)23-12-17-11-18(24-29-17)15-7-4-8-16(10-15)27-2/h4,7-11,14H,3,5-6,12H2,1-2H3,(H,23,25)
InChIKeyXKEOQLGWFUCMPA-UHFFFAOYSA-N
XLogP3.81
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide with MolForge

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Related Compounds

3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97127802
6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170506110
(1R,9S)-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-5-carboxamide
CID 172670481
N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 154903600
(1S,2R,3S,4R)-3-amino-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118769027
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171709744
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170510643) is 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide is COc1cccc(-c2cc(CNC(=O)c3c(C)cc(C4CCC4)oc3=O)on2)c1.
What is the InChIKey of 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is XKEOQLGWFUCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-13-9-19(14-5-3-6-14)28-22(26)20(13)21(25)23-12-17-11-18(24-29-17)15-7-4-8-16(10-15)27-2/h4,7-11,14H,3,5-6,12H2,1-2H3,(H,23,25).
What are the key properties of 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170510643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).