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

C28H22N2O4 — CID 4911380

IUPAC14-(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
SMILESCc1cc(N2C(=O)c3oc4ccc5ccccc5c4c(=O)c3C2c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C28H22N2O4/c1-15(2)17-8-10-19(11-9-17)25-24-26(31)23-20-7-5-4-6-18(20)12-13-21(23)33-27(24)28(32)30(25)22-14-16(3)34-29-22/h4-15,25H,1-3H3
InChIKeyPAPKZGKSYRQKHU-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.12
Rot. Bonds3

About 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

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 (PubChem CID 4911380) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID4911380
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name14-(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
SMILESCc1cc(N2C(=O)c3oc4ccc5ccccc5c4c(=O)c3C2c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C28H22N2O4/c1-15(2)17-8-10-19(11-9-17)25-24-26(31)23-20-7-5-4-6-18(20)12-13-21(23)33-27(24)28(32)30(25)22-14-16(3)34-29-22/h4-15,25H,1-3H3
InChIKeyPAPKZGKSYRQKHU-UHFFFAOYSA-N
XLogP6.12
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(1S)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598668
(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075404
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
(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075798
6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4903810
(1S)-7-chloro-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009540
1-(4-bromophenyl)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3927226
7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3363656
1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3295716
(1R)-1-(4-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7632172
7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4892209
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2C(=O)c3oc4ccc5ccccc5c4c(=O)c3C2c2ccc(C(C)C)cc2)no1.
What is the InChIKey of 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?
The InChIKey is PAPKZGKSYRQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-15(2)17-8-10-19(11-9-17)25-24-26(31)23-20-7-5-4-6-18(20)12-13-21(23)33-27(24)28(32)30(25)22-14-16(3)34-29-22/h4-15,25H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 450.49 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 4911380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).