6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one

C23H23N3O5 — CID 170982050

IUPAC6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C23H23N3O5/c1-12-21(14(3)30-24-12)16-9-17-19(27)11-20(26-5-7-28-8-6-26)29-23(17)18(10-16)22-13(2)25-31-15(22)4/h9-11H,5-8H2,1-4H3
InChIKeyGKHUYJAQGRPIMF-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.17
Rot. Bonds3

About 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one

6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 170982050) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID170982050
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C23H23N3O5/c1-12-21(14(3)30-24-12)16-9-17-19(27)11-20(26-5-7-28-8-6-26)29-23(17)18(10-16)22-13(2)25-31-15(22)4/h9-11H,5-8H2,1-4H3
InChIKeyGKHUYJAQGRPIMF-UHFFFAOYSA-N
XLogP4.17
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
CID 121292971
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-(4-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11652716
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-[3-(4-methylthiophen-3-yl)phenyl]-2-morpholin-4-ylchromen-4-one
CID 11956324
8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
CID 164600760
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ylchromen-4-one
CID 166450920
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490

Frequently Asked Questions

What is the IUPAC name of 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one (CID 170982050) is 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one is Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is GKHUYJAQGRPIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-12-21(14(3)30-24-12)16-9-17-19(27)11-20(26-5-7-28-8-6-26)29-23(17)18(10-16)22-13(2)25-31-15(22)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one?
6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 421.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 170982050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).