(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene

C29H38N2O5 — CID 56949308

IUPAC(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
SMILESCCCc1cc(COC[C@H]2CC34CCC2(OC)[C@@H]2Oc5c(OC)ccc6c5C23CCN(C)[C@@H]4C6)on1
InChIInChI=1S/C29H38N2O5/c1-5-6-20-14-21(36-30-20)17-34-16-19-15-27-9-10-29(19,33-4)26-28(27)11-12-31(2)23(27)13-18-7-8-22(32-3)25(35-26)24(18)28/h7-8,14,19,23,26H,5-6,9-13,15-17H2,1-4H3/t19-,23-,26-,27?,28?,29?/m1/s1
InChIKeyVGPKXDDDJZDRDW-AEOHMSLLSA-N
MW494.63 g/mol
LogP4.30
Rot. Bonds8

About (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene

(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene (PubChem CID 56949308) has the molecular formula C29H38N2O5 and a molecular weight of 494.63 g/mol. Its IUPAC name is (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene.

Molecular Properties

Compound Name(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
PubChem CID56949308
Molecular FormulaC29H38N2O5
Molecular Weight494.63 g/mol
Exact Mass494.28
IUPAC Name(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
SMILESCCCc1cc(COC[C@H]2CC34CCC2(OC)[C@@H]2Oc5c(OC)ccc6c5C23CCN(C)[C@@H]4C6)on1
InChIInChI=1S/C29H38N2O5/c1-5-6-20-14-21(36-30-20)17-34-16-19-15-27-9-10-29(19,33-4)26-28(27)11-12-31(2)23(27)13-18-7-8-22(32-3)25(35-26)24(18)28/h7-8,14,19,23,26H,5-6,9-13,15-17H2,1-4H3/t19-,23-,26-,27?,28?,29?/m1/s1
InChIKeyVGPKXDDDJZDRDW-AEOHMSLLSA-N
XLogP4.30
TPSA66.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene with MolForge

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Related Compounds

(2S,6R)-11,15-dimethoxy-5-methyl-16-(phenylmethoxymethyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
CID 58296552
(1R,9R,10R,11R,14S)-6,10-dimethoxy-15-methyl-11-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-8-oxa-15-azapentacyclo[8.7.3.13,14.01,9.02,7]henicosa-2,4,6-triene
CID 118630092
2-[4-[[(1S,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methoxymethyl]phenyl]ethanol
CID 118630087
2-[(1R,2S,6R,14S,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]propan-2-ol
CID 98475293
5-(cyclopropylmethyl)-16-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
CID 91078957
(2R)-2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3-methylbutan-2-ol
CID 100957805
(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-16-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
CID 159807893
(1R,2R,6R,14R,15R,19R)-11,15-dimethoxy-5-methyl-19-(phenylmethoxymethyl)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-17-one
CID 102211875
2-[(2S,6R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
CID 10433431
2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl)-3,3-dimethylbutan-2-ol
CID 13324133
(2S)-2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol
CID 13324137
2-[3-[[(6R,14R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]methoxymethyl]anilino]acetic acid
CID 56949052

Frequently Asked Questions

What is the IUPAC name of (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene?
The IUPAC name of (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene (CID 56949308) is (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene.
What is the SMILES notation for (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene?
The canonical SMILES for (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene is CCCc1cc(COC[C@H]2CC34CCC2(OC)[C@@H]2Oc5c(OC)ccc6c5C23CCN(C)[C@@H]4C6)on1.
What is the InChIKey of (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene?
The InChIKey is VGPKXDDDJZDRDW-AEOHMSLLSA-N. The full InChI is InChI=1S/C29H38N2O5/c1-5-6-20-14-21(36-30-20)17-34-16-19-15-27-9-10-29(19,33-4)26-28(27)11-12-31(2)23(27)13-18-7-8-22(32-3)25(35-26)24(18)28/h7-8,14,19,23,26H,5-6,9-13,15-17H2,1-4H3/t19-,23-,26-,27?,28?,29?/m1/s1.
What are the key properties of (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene?
(6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene has a molecular weight of 494.63 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,14R,16R)-11,15-dimethoxy-5-methyl-16-[(3-propyl-1,2-oxazol-5-yl)methoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene is sourced from PubChem (CID 56949308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).