benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate

C24H25N5O5 — CID 175004018

IUPACbenzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(OC(N)=O)c1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)o1
InChIInChI=1S/C24H25N5O5/c1-24(2,34-22(25)30)21-29-28-20(33-21)19(12-16-13-26-18-11-7-6-10-17(16)18)27-23(31)32-14-15-8-4-3-5-9-15/h3-11,13,19,26H,12,14H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyYYTKCTXYNHYOCN-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.09
Rot. Bonds8

About benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate

benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate (PubChem CID 175004018) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
PubChem CID175004018
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Namebenzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(OC(N)=O)c1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)o1
InChIInChI=1S/C24H25N5O5/c1-24(2,34-22(25)30)21-29-28-20(33-21)19(12-16-13-26-18-11-7-6-10-17(16)18)27-23(31)32-14-15-8-4-3-5-9-15/h3-11,13,19,26H,12,14H2,1-2H3,(H2,25,30)(H,27,31)
InChIKeyYYTKCTXYNHYOCN-UHFFFAOYSA-N
XLogP4.09
TPSA145.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[(1S)-2-(1H-indol-3-yl)-1-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 153493270
benzyl N-[3-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 146564865
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
benzyl N-[(2R)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 40987693
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
tert-butyl N-[(1R)-2-(1H-indol-3-yl)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 6585613
tert-butyl N-[(1R)-1-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl]carbamate
CID 6577498
methyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 67908238
ethyl 2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 10504704
tert-butyl N-[1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
CID 4268882

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate (CID 175004018) is benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate is CC(C)(OC(N)=O)c1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
The InChIKey is YYTKCTXYNHYOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-24(2,34-22(25)30)21-29-28-20(33-21)19(12-16-13-26-18-11-7-6-10-17(16)18)27-23(31)32-14-15-8-4-3-5-9-15/h3-11,13,19,26H,12,14H2,1-2H3,(H2,25,30)(H,27,31).
What are the key properties of benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate?
benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate has a molecular weight of 463.49 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[5-(2-carbamoyloxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 175004018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).