tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate

C18H25N3O4 — CID 136584914

IUPACtert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate
SMILESCCc1nc(COc2ccccc2[C@H](C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C18H25N3O4/c1-6-16-20-15(21-25-16)11-23-14-10-8-7-9-13(14)12(2)19-17(22)24-18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyQUBMOKVUJROVTN-LBPRGKRZSA-N
MW347.42 g/mol
LogP3.80
Rot. Bonds6

About tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate

tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate (PubChem CID 136584914) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate
PubChem CID136584914
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate
SMILESCCc1nc(COc2ccccc2[C@H](C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C18H25N3O4/c1-6-16-20-15(21-25-16)11-23-14-10-8-7-9-13(14)12(2)19-17(22)24-18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m0/s1
InChIKeyQUBMOKVUJROVTN-LBPRGKRZSA-N
XLogP3.80
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate with MolForge

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Related Compounds

N-methyl-1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495515
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 61494511
tert-butyl N-[(1S)-1-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethyl]carbamate
CID 136584911
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
CID 107236715
5-ethyl-3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
CID 63862061
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanamine
CID 63065863
tert-butyl N-[(1R)-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethyl]carbamate
CID 95312192
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
N-[[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63057157
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate (CID 136584914) is tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate is CCc1nc(COc2ccccc2[C@H](C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate?
The InChIKey is QUBMOKVUJROVTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-6-16-20-15(21-25-16)11-23-14-10-8-7-9-13(14)12(2)19-17(22)24-18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 136584914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).