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

C22H21N3O2 — CID 118525998

IUPAC1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1ccc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C22H21N3O2/c1-13-4-5-15(11-23-13)20-24-12-19(27-20)14-6-9-17-18(10-14)25(16-7-8-16)21(26)22(17,2)3/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyYPBUVSJWYDMIDO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.50
Rot. Bonds3

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

1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (PubChem CID 118525998) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
PubChem CID118525998
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
SMILESCc1ccc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C22H21N3O2/c1-13-4-5-15(11-23-13)20-24-12-19(27-20)14-6-9-17-18(10-14)25(16-7-8-16)21(26)22(17,2)3/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyYPBUVSJWYDMIDO-UHFFFAOYSA-N
XLogP4.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.50
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-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one (CID 118525998) is 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)cn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
The InChIKey is YPBUVSJWYDMIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-13-4-5-15(11-23-13)20-24-12-19(27-20)14-6-9-17-18(10-14)25(16-7-8-16)21(26)22(17,2)3/h4-6,9-12,16H,7-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one?
1-cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.50, 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-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one is sourced from PubChem (CID 118525998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).