1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

C44H44N6O4 — CID 118526102

IUPAC1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1.Cc1ccc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C23H23N3O2.C21H21N3O2/c1-13-5-6-16(12-24-13)21-25-14(2)20(28-21)15-7-10-18-19(11-15)26(17-8-9-17)22(27)23(18,3)4;1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h5-7,10-12,17H,8-9H2,1-4H3;6-11H,1-5H3
InChIKeyUZPCPUIRAQXBAN-UHFFFAOYSA-N
MW720.87 g/mol
LogP9.08
Rot. Bonds5

About 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one

1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (PubChem CID 118526102) has the molecular formula C44H44N6O4 and a molecular weight of 720.87 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
PubChem CID118526102
Molecular FormulaC44H44N6O4
Molecular Weight720.87 g/mol
Exact Mass720.34
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1.Cc1ccc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C23H23N3O2.C21H21N3O2/c1-13-5-6-16(12-24-13)21-25-14(2)20(28-21)15-7-10-18-19(11-15)26(17-8-9-17)22(27)23(18,3)4;1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h5-7,10-12,17H,8-9H2,1-4H3;6-11H,1-5H3
InChIKeyUZPCPUIRAQXBAN-UHFFFAOYSA-N
XLogP9.08
TPSA118.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (CID 118526102) is 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)ccn1.Cc1ccc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The InChIKey is UZPCPUIRAQXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C21H21N3O2/c1-13-5-6-16(12-24-13)21-25-14(2)20(28-21)15-7-10-18-19(11-15)26(17-8-9-17)22(27)23(18,3)4;1-12-10-15(8-9-22-12)19-23-13(2)18(26-19)14-6-7-16-17(11-14)24(5)20(25)21(16,3)4/h5-7,10-12,17H,8-9H2,1-4H3;6-11H,1-5H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one has a molecular weight of 720.87 g/mol, XLogP of 9.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is sourced from PubChem (CID 118526102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).