(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate

C18H21N3O3 — CID 31419397

IUPAC(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)c1noc(COC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)17-20-15(24-21-17)11-23-16(22)9-8-12-10-19-14-7-5-4-6-13(12)14/h4-7,10,19H,8-9,11H2,1-3H3
InChIKeyCGHDUQLLSBTSQM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.52
Rot. Bonds5

About (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 31419397) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate
PubChem CID31419397
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)c1noc(COC(=O)CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)17-20-15(24-21-17)11-23-16(22)9-8-12-10-19-14-7-5-4-6-13(12)14/h4-7,10,19H,8-9,11H2,1-3H3
InChIKeyCGHDUQLLSBTSQM-UHFFFAOYSA-N
XLogP3.52
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7605262
(4-oxo-3H-quinazolin-2-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 135734801
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
(4-tert-butyl-2,6-dinitrophenyl) 3-(1H-indol-3-yl)propanoate
CID 102068531
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 167898000
2-(2,6-dichlorophenoxy)ethyl 3-(1H-indol-3-yl)propanoate
CID 2472474
4-(1H-indol-3-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 91794074
4-(1H-indol-3-yl)butanamide
CID 588715
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate (CID 31419397) is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate is CC(C)(C)c1noc(COC(=O)CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is CGHDUQLLSBTSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,3)17-20-15(24-21-17)11-23-16(22)9-8-12-10-19-14-7-5-4-6-13(12)14/h4-7,10,19H,8-9,11H2,1-3H3.
What are the key properties of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate?
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 31419397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).