2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone

C18H16N2O2S — CID 4732500

IUPAC2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone
SMILESCc1noc(C)c1-c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C18H16N2O2S/c1-11-17(12(2)22-19-11)15-7-8-16(23-15)18(21)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3
InChIKeyZIKSVUJVWOXTBL-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.22
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone

2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone (PubChem CID 4732500) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone
PubChem CID4732500
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone
SMILESCc1noc(C)c1-c1ccc(C(=O)N2CCc3ccccc32)s1
InChIInChI=1S/C18H16N2O2S/c1-11-17(12(2)22-19-11)15-7-8-16(23-15)18(21)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3
InChIKeyZIKSVUJVWOXTBL-UHFFFAOYSA-N
XLogP4.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 110856964
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110615311
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549867
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
2,3-dihydroindol-1-yl-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50778980
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110606105

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone (CID 4732500) is 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone is Cc1noc(C)c1-c1ccc(C(=O)N2CCc3ccccc32)s1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone?
The InChIKey is ZIKSVUJVWOXTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-11-17(12(2)22-19-11)15-7-8-16(23-15)18(21)20-10-9-13-5-3-4-6-14(13)20/h3-8H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone?
2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone has a molecular weight of 324.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 4732500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).