3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

C19H23N3O2 — CID 86281376

IUPAC3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(N)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C19H23N3O2/c1-11-17(12(2)24-22-11)13-8-9-16-15(10-13)19(20,18(23)21-16)14-6-4-3-5-7-14/h8-10,14H,3-7,20H2,1-2H3,(H,21,23)
InChIKeyTYYNTGOPTCKZTN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.64
Rot. Bonds2

About 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (PubChem CID 86281376) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
PubChem CID86281376
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(N)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C19H23N3O2/c1-11-17(12(2)24-22-11)13-8-9-16-15(10-13)19(20,18(23)21-16)14-6-4-3-5-7-14/h8-10,14H,3-7,20H2,1-2H3,(H,21,23)
InChIKeyTYYNTGOPTCKZTN-UHFFFAOYSA-N
XLogP3.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The IUPAC name of 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (CID 86281376) is 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The canonical SMILES for 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(N)(C1CCCCC1)C(=O)N2.
What is the InChIKey of 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The InChIKey is TYYNTGOPTCKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-11-17(12(2)24-22-11)13-8-9-16-15(10-13)19(20,18(23)21-16)14-6-4-3-5-7-14/h8-10,14H,3-7,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 86281376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).