5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole

C25H29N3O — CID 122485550

IUPAC5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole
SMILESCCc1oc(C2=C[C@]3(CC)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)nc1C
InChIInChI=1S/C25H29N3O/c1-4-21-16(3)26-24(29-21)20-15-25(5-2)12-8-13-27-14-11-18-17-9-6-7-10-19(17)28(20)22(18)23(25)27/h6-7,9-10,15,23H,4-5,8,11-14H2,1-3H3/t23-,25+/m1/s1
InChIKeyDEVUIDBAFXNHJT-NOZRDPDXSA-N
MW387.53 g/mol
LogP5.49
Rot. Bonds3

About 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole

5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole (PubChem CID 122485550) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole
PubChem CID122485550
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole
SMILESCCc1oc(C2=C[C@]3(CC)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)nc1C
InChIInChI=1S/C25H29N3O/c1-4-21-16(3)26-24(29-21)20-15-25(5-2)12-8-13-27-14-11-18-17-9-6-7-10-19(17)28(20)22(18)23(25)27/h6-7,9-10,15,23H,4-5,8,11-14H2,1-3H3/t23-,25+/m1/s1
InChIKeyDEVUIDBAFXNHJT-NOZRDPDXSA-N
XLogP5.49
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole (CID 122485550) is 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole is CCc1oc(C2=C[C@]3(CC)CCCN4CCc5c(n2c2ccccc52)[C@@H]43)nc1C.
What is the InChIKey of 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole?
The InChIKey is DEVUIDBAFXNHJT-NOZRDPDXSA-N. The full InChI is InChI=1S/C25H29N3O/c1-4-21-16(3)26-24(29-21)20-15-25(5-2)12-8-13-27-14-11-18-17-9-6-7-10-19(17)28(20)22(18)23(25)27/h6-7,9-10,15,23H,4-5,8,11-14H2,1-3H3/t23-,25+/m1/s1.
What are the key properties of 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole?
5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole has a molecular weight of 387.53 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 122485550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).