1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone

C17H15N3O3S — CID 163555906

IUPAC1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone
SMILESCOCC1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1
InChIInChI=1S/C17H15N3O3S/c1-22-7-10-8-23-16(19-10)14-9-24-17(20-14)15(21)12-6-18-13-5-3-2-4-11(12)13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyFNAHKHSYKZVQBV-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.65
Rot. Bonds5

About 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone

1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone (PubChem CID 163555906) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone
PubChem CID163555906
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone
SMILESCOCC1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1
InChIInChI=1S/C17H15N3O3S/c1-22-7-10-8-23-16(19-10)14-9-24-17(20-14)15(21)12-6-18-13-5-3-2-4-11(12)13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyFNAHKHSYKZVQBV-UHFFFAOYSA-N
XLogP2.65
TPSA76.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
1H-indol-3-yl-[4-(1,3-oxazol-2-yl)-1,3-thiazol-2-yl]methanone;propane
CID 142609230
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
methyl 1-[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylate
CID 167179465
1H-indol-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methanone;sulfur trioxide
CID 160595335
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
iron(2+);4-(methoxymethyl)-2-[6-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;dichloride
CID 70014009
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
[3-[4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidin-1-yl]-3-oxopropyl]-trimethylazanium
CID 156515501
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone (CID 163555906) is 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone is COCC1COC(c2csc(C(=O)c3c[nH]c4ccccc34)n2)=N1.
What is the InChIKey of 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone?
The InChIKey is FNAHKHSYKZVQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-7-10-8-23-16(19-10)14-9-24-17(20-14)15(21)12-6-18-13-5-3-2-4-11(12)13/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone?
1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone has a molecular weight of 341.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-[4-(methoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 163555906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).