5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole

C19H18N6O2 — CID 46882523

IUPAC5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2
InChIInChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3
InChIKeyRCHABAVREUSBQI-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.70
Rot. Bonds3

About 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole

5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 46882523) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID46882523
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2
InChIInChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3
InChIKeyRCHABAVREUSBQI-UHFFFAOYSA-N
XLogP2.70
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole (CID 46882523) is 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole is COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2.
What is the InChIKey of 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is RCHABAVREUSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-11-6-14(27-23-11)8-18-21-19-15-7-13(26-3)4-5-16(15)24-10-20-12(2)17(24)9-25(19)22-18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole?
5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 362.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 46882523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).