(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate

C18H20N2O3 — CID 2412841

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate
SMILESCc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12-16(13(2)23-20-12)11-22-18(21)9-5-6-14-10-19-17-8-4-3-7-15(14)17/h3-4,7-8,10,19H,5-6,9,11H2,1-2H3
InChIKeyQPSPLUUJNPKBPB-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.84
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate (PubChem CID 2412841) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate
PubChem CID2412841
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate
SMILESCc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O3/c1-12-16(13(2)23-20-12)11-22-18(21)9-5-6-14-10-19-17-8-4-3-7-15(14)17/h3-4,7-8,10,19H,5-6,9,11H2,1-2H3
InChIKeyQPSPLUUJNPKBPB-UHFFFAOYSA-N
XLogP3.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983174
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2060921
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2488127
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 2516750
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539615
N'-(1H-indol-3-ylmethylene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide
CID 135411415
2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 16327505
5-(1H-Indol-3-YL)isoxazole-3-carboxylic acid
CID 3335473
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2105037
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2459496
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16339190
5-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 168296856

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate (CID 2412841) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate is Cc1noc(C)c1COC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate?
The InChIKey is QPSPLUUJNPKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-16(13(2)23-20-12)11-22-18(21)9-5-6-14-10-19-17-8-4-3-7-15(14)17/h3-4,7-8,10,19H,5-6,9,11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate has a molecular weight of 312.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 2412841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).