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

C22H25N5O5 — CID 55654493

IUPACtert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H25N5O5/c1-22(2,3)31-21(29)25-16-13-15(5-6-17(16)30-4)24-18(28)7-8-19-26-20(27-32-19)14-9-11-23-12-10-14/h5-6,9-13H,7-8H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMLKJHVGKLOQNAS-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.06
Rot. Bonds7

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

tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate (PubChem CID 55654493) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
PubChem CID55654493
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Nametert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
SMILESCOc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C22H25N5O5/c1-22(2,3)31-21(29)25-16-13-15(5-6-17(16)30-4)24-18(28)7-8-19-26-20(27-32-19)14-9-11-23-12-10-14/h5-6,9-13H,7-8H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyMLKJHVGKLOQNAS-UHFFFAOYSA-N
XLogP4.06
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 33308093
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216008
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026
N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55878972
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
CID 46265246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate (CID 55654493) is tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate is COc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate?
The InChIKey is MLKJHVGKLOQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-22(2,3)31-21(29)25-16-13-15(5-6-17(16)30-4)24-18(28)7-8-19-26-20(27-32-19)14-9-11-23-12-10-14/h5-6,9-13H,7-8H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate?
tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate has a molecular weight of 439.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 55654493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).