(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione

C24H15N3O4 — CID 7554879

IUPAC(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
SMILESCc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccccn2)no1
InChIInChI=1S/C24H15N3O4/c1-13-12-18(26-31-13)27-20(17-8-4-5-11-25-17)19-21(28)16-10-9-14-6-2-3-7-15(14)22(16)30-23(19)24(27)29/h2-12,20H,1H3/t20-/m1/s1
InChIKeyXNVIXCOFPZHQBP-HXUWFJFHSA-N
MW409.40 g/mol
LogP4.39
Rot. Bonds2

About (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione

(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione (PubChem CID 7554879) has the molecular formula C24H15N3O4 and a molecular weight of 409.40 g/mol. Its IUPAC name is (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.

Molecular Properties

Compound Name(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
PubChem CID7554879
Molecular FormulaC24H15N3O4
Molecular Weight409.40 g/mol
Exact Mass409.11
IUPAC Name(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
SMILESCc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccccn2)no1
InChIInChI=1S/C24H15N3O4/c1-13-12-18(26-31-13)27-20(17-8-4-5-11-25-17)19-21(28)16-10-9-14-6-2-3-7-15(14)22(16)30-23(19)24(27)29/h2-12,20H,1H3/t20-/m1/s1
InChIKeyXNVIXCOFPZHQBP-HXUWFJFHSA-N
XLogP4.39
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione with MolForge

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Related Compounds

13-(4-methoxyphenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 4911154
(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598415
13-(4-ethoxy-3-methoxyphenyl)-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 4910326
N,N-diethyl-4-[14-(5-methyl-1,2-oxazol-3-yl)-11,15-dioxo-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-13-yl]benzenesulfonamide
CID 4903789
13-[4-(azepan-1-ylsulfonyl)phenyl]-14-(5-methyl-1,2-oxazol-3-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 4910910
14-(5-methyl-1,2-oxazol-3-yl)-15-(4-propan-2-ylphenyl)-11-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-13,17-dione
CID 4911380
(1R)-7-chloro-6-methyl-1,2-dipyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7620958
6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4903810
(13S)-13-(4-methylphenyl)-14-(1,3-thiazol-2-yl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 42066206
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674
(1R)-1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075963
5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4908986

Frequently Asked Questions

What is the IUPAC name of (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The IUPAC name of (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione (CID 7554879) is (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione.
What is the SMILES notation for (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The canonical SMILES for (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione is Cc1cc(N2C(=O)c3oc4c(ccc5ccccc54)c(=O)c3[C@H]2c2ccccn2)no1.
What is the InChIKey of (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
The InChIKey is XNVIXCOFPZHQBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H15N3O4/c1-13-12-18(26-31-13)27-20(17-8-4-5-11-25-17)19-21(28)16-10-9-14-6-2-3-7-15(14)22(16)30-23(19)24(27)29/h2-12,20H,1H3/t20-/m1/s1.
What are the key properties of (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione?
(13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione has a molecular weight of 409.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13S)-14-(5-methyl-1,2-oxazol-3-yl)-13-pyridin-2-yl-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione is sourced from PubChem (CID 7554879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).