[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate

C18H18N4O4 — CID 176673919

IUPAC[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(OC)cc(-c2cncc(-c3nnco3)c2)c1
InChIInChI=1S/C18H18N4O4/c1-3-4-20-18(23)26-16-7-12(6-15(8-16)24-2)13-5-14(10-19-9-13)17-22-21-11-25-17/h5-11H,3-4H2,1-2H3,(H,20,23)
InChIKeyAUOFTGCXJHZIGZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.31
Rot. Bonds6

About [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate

[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate (PubChem CID 176673919) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate
PubChem CID176673919
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(OC)cc(-c2cncc(-c3nnco3)c2)c1
InChIInChI=1S/C18H18N4O4/c1-3-4-20-18(23)26-16-7-12(6-15(8-16)24-2)13-5-14(10-19-9-13)17-22-21-11-25-17/h5-11H,3-4H2,1-2H3,(H,20,23)
InChIKeyAUOFTGCXJHZIGZ-UHFFFAOYSA-N
XLogP3.31
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-diphenylphenyl) N-propylcarbamate
CID 44572187
methyl 5-[3-(propylcarbamoyloxy)phenyl]pyridine-3-carboxylate
CID 177119381
2-(3-methoxy-5-methylphenyl)-1,3,4-oxadiazole
CID 171373652
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 18275961
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(1,3,4-oxadiazol-2-yl)benzoate
CID 8999397
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
CID 71082953
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate?
The IUPAC name of [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate (CID 176673919) is [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate.
What is the SMILES notation for [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate?
The canonical SMILES for [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate is CCCNC(=O)Oc1cc(OC)cc(-c2cncc(-c3nnco3)c2)c1.
What is the InChIKey of [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate?
The InChIKey is AUOFTGCXJHZIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-4-20-18(23)26-16-7-12(6-15(8-16)24-2)13-5-14(10-19-9-13)17-22-21-11-25-17/h5-11H,3-4H2,1-2H3,(H,20,23).
What are the key properties of [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate?
[3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate has a molecular weight of 354.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-[5-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl] N-propylcarbamate is sourced from PubChem (CID 176673919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).