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

C23H23N3O2 — CID 118525953

IUPAC1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C23H23N3O2/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4/h5,8-12,17H,6-7H2,1-4H3
InChIKeyYGCHHRIHQZXKLO-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.81
Rot. Bonds3

About 1-cyclopropyl-3,3-dimethyl-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-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (PubChem CID 118525953) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-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-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
PubChem CID118525953
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C23H23N3O2/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4/h5,8-12,17H,6-7H2,1-4H3
InChIKeyYGCHHRIHQZXKLO-UHFFFAOYSA-N
XLogP4.81
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-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-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (CID 118525953) is 1-cyclopropyl-3,3-dimethyl-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-(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-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is Cc1cc(-c2nc(C)c(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The InChIKey is YGCHHRIHQZXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-13-11-16(9-10-24-13)21-25-14(2)20(28-21)15-5-8-18-19(12-15)26(17-6-7-17)22(27)23(18,3)4/h5,8-12,17H,6-7H2,1-4H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-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-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one has a molecular weight of 373.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is sourced from PubChem (CID 118525953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).