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

C19H17N3O2 — CID 86280821

IUPAC3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(N)(c1ccccc1)C(=O)N2
InChIInChI=1S/C19H17N3O2/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/h3-10H,20H2,1-2H3,(H,21,23)
InChIKeyHIZNONHBBUUYFX-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.11
Rot. Bonds2

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

3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one (PubChem CID 86280821) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
PubChem CID86280821
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(N)(c1ccccc1)C(=O)N2
InChIInChI=1S/C19H17N3O2/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/h3-10H,20H2,1-2H3,(H,21,23)
InChIKeyHIZNONHBBUUYFX-UHFFFAOYSA-N
XLogP3.11
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 10720988
6-(3,5-Dimethyl-isoxazol-4-yl)-3,4-dimethyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273586
5-(3,5-Dimethylisoxazol-4-yl)-3-hydroxy-3-phenylindolin-2-one
CID 86296101
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinolin-2-one
CID 121342355
4-(benzylamino)-6-(3,5-dimethylisoxazol-4-yl)quinolin-2(1H)-one
CID 117625006
N-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxamide
CID 850471

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one (CID 86280821) is 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(N)(c1ccccc1)C(=O)N2.
What is the InChIKey of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The InChIKey is HIZNONHBBUUYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/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/h3-10H,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86280821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).