tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate

C18H21N3O3 — CID 11370849

IUPACtert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cnco1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)24-17(22)21-15(16-10-19-11-23-16)8-12-9-20-14-7-5-4-6-13(12)14/h4-7,9-11,15,20H,8H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyHUVHUTFDFPKFRP-HNNXBMFYSA-N
MW327.38 g/mol
LogP3.96
Rot. Bonds4

About tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate

tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate (PubChem CID 11370849) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate
PubChem CID11370849
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cnco1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)24-17(22)21-15(16-10-19-11-23-16)8-12-9-20-14-7-5-4-6-13(12)14/h4-7,9-11,15,20H,8H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyHUVHUTFDFPKFRP-HNNXBMFYSA-N
XLogP3.96
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate (CID 11370849) is tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cnco1.
What is the InChIKey of tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate?
The InChIKey is HUVHUTFDFPKFRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,3)24-17(22)21-15(16-10-19-11-23-16)8-12-9-20-14-7-5-4-6-13(12)14/h4-7,9-11,15,20H,8H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate?
tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-(1H-indol-3-yl)-1-(1,3-oxazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 11370849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).