1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate

C12H14N4O4 — CID 175206382

IUPAC1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate
SMILESCCOc1cc(-c2noc(C(C)OC(N)=O)n2)ccn1
InChIInChI=1S/C12H14N4O4/c1-3-18-9-6-8(4-5-14-9)10-15-11(20-16-10)7(2)19-12(13)17/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyNZVYGODAWFSSGM-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.69
Rot. Bonds5

About 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate

1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate (PubChem CID 175206382) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate.

Molecular Properties

Compound Name1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate
PubChem CID175206382
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate
SMILESCCOc1cc(-c2noc(C(C)OC(N)=O)n2)ccn1
InChIInChI=1S/C12H14N4O4/c1-3-18-9-6-8(4-5-14-9)10-15-11(20-16-10)7(2)19-12(13)17/h4-7H,3H2,1-2H3,(H2,13,17)
InChIKeyNZVYGODAWFSSGM-UHFFFAOYSA-N
XLogP1.69
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propyl] carbamate
CID 175214308
[(1S)-1-[3-[2-(2,2-difluoroethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155272169
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-ethoxy-4-methoxybenzoate
CID 55537335
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346032
tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768054
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
CID 44605912
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
CID 9380865
(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272323
ethyl 2-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79474278

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate?
The IUPAC name of 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate (CID 175206382) is 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate.
What is the SMILES notation for 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate?
The canonical SMILES for 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate is CCOc1cc(-c2noc(C(C)OC(N)=O)n2)ccn1.
What is the InChIKey of 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate?
The InChIKey is NZVYGODAWFSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-3-18-9-6-8(4-5-14-9)10-15-11(20-16-10)7(2)19-12(13)17/h4-7H,3H2,1-2H3,(H2,13,17).
What are the key properties of 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate?
1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate has a molecular weight of 278.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl carbamate is sourced from PubChem (CID 175206382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).