[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C20H23N3O4 — CID 7605262

IUPAC[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)on1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)16-10-18(27-23-16)22-17(24)12-26-19(25)9-8-13-11-21-15-7-5-4-6-14(13)15/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyIGGDTEWGFYUZGL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.57
Rot. Bonds6

About [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 7605262) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID7605262
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)on1
InChIInChI=1S/C20H23N3O4/c1-20(2,3)16-10-18(27-23-16)22-17(24)12-26-19(25)9-8-13-11-21-15-7-5-4-6-14(13)15/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyIGGDTEWGFYUZGL-UHFFFAOYSA-N
XLogP3.57
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 7605262) is [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is CC(C)(C)c1cc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)on1.
What is the InChIKey of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is IGGDTEWGFYUZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(2,3)16-10-18(27-23-16)22-17(24)12-26-19(25)9-8-13-11-21-15-7-5-4-6-14(13)15/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 369.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7605262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).