(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one

C25H27N3O7 — CID 155915719

IUPAC(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
SMILESCOc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CN3CCOC3=O)C[C@@H]21
InChIInChI=1S/C25H27N3O7/c1-33-20-6-4-16-11-22(20)35-21-10-15(2-5-19(21)29)3-7-23(30)26-18-13-28(12-17(16)18)24(31)14-27-8-9-34-25(27)32/h2,4-6,10-11,17-18,29H,3,7-9,12-14H2,1H3,(H,26,30)/t17-,18+/m0/s1
InChIKeyOTVRGVDISKKPJQ-ZWKOTPCHSA-N
MW481.51 g/mol
LogP2.00
Rot. Bonds3

About (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one

(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one (PubChem CID 155915719) has the molecular formula C25H27N3O7 and a molecular weight of 481.51 g/mol. Its IUPAC name is (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one.

Molecular Properties

Compound Name(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
PubChem CID155915719
Molecular FormulaC25H27N3O7
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC Name(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
SMILESCOc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CN3CCOC3=O)C[C@@H]21
InChIInChI=1S/C25H27N3O7/c1-33-20-6-4-16-11-22(20)35-21-10-15(2-5-19(21)29)3-7-23(30)26-18-13-28(12-17(16)18)24(31)14-27-8-9-34-25(27)32/h2,4-6,10-11,17-18,29H,3,7-9,12-14H2,1H3,(H,26,30)/t17-,18+/m0/s1
InChIKeyOTVRGVDISKKPJQ-ZWKOTPCHSA-N
XLogP2.00
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one with MolForge

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Related Compounds

(2R,6S)-4-[2-(2-chlorophenyl)acetyl]-14-hydroxy-18-methoxy-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155912065
(2R,6S)-14-hydroxy-18-methoxy-4-[2-(3-methoxyphenoxy)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155911113
(2R,6S)-14-hydroxy-18-methoxy-4-(4-morpholin-4-ylbenzoyl)-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155916686
(2R,6S)-14-hydroxy-18-methoxy-4-(3-methylimidazole-4-carbonyl)-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155918693
(2R,6S)-14-hydroxy-18-methoxy-4-(4-propan-2-yloxybenzoyl)-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155916938
(2R,6S)-14-hydroxy-4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-18-methoxy-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155913964
(2R,6S)-14-hydroxy-18-methoxy-4-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carbonyl)-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one;dihydrochloride
CID 155971533
(3S,8R)-14,24-dimethoxy-6-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-2,12-dioxa-6,9,21-triazatetracyclo[21.2.2.113,17.03,8]octacosa-1(25),13,15,17(28),23,26-hexaene-10,20-dione
CID 169412765
(3R,7R)-13,22-dimethoxy-5-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-2,11-dioxa-5,8,19-triazatetracyclo[19.2.2.212,15.03,7]heptacosa-1(23),12,14,21,24,26-hexaene-9,18-dione
CID 170503546
(2R,6S)-14-hydroxy-4-(oxane-4-carbonyl)-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155916554
(2R,6S)-14-hydroxy-4-[2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one
CID 155919213
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one?
The IUPAC name of (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one (CID 155915719) is (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one.
What is the SMILES notation for (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one?
The canonical SMILES for (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one is COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CN3CCOC3=O)C[C@@H]21.
What is the InChIKey of (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one?
The InChIKey is OTVRGVDISKKPJQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H27N3O7/c1-33-20-6-4-16-11-22(20)35-21-10-15(2-5-19(21)29)3-7-23(30)26-18-13-28(12-17(16)18)24(31)14-27-8-9-34-25(27)32/h2,4-6,10-11,17-18,29H,3,7-9,12-14H2,1H3,(H,26,30)/t17-,18+/m0/s1.
What are the key properties of (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one?
(2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one has a molecular weight of 481.51 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-14-hydroxy-18-methoxy-4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-16-oxa-4,7-diazatetracyclo[15.3.1.111,15.02,6]docosa-1(21),11(22),12,14,17,19-hexaen-8-one is sourced from PubChem (CID 155915719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).