5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide

C18H21N5O2 — CID 126840990

IUPAC5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NCCNc2ccc3ccccc3n2)o1
InChIInChI=1S/C18H21N5O2/c1-18(2,3)17-23-22-16(25-17)15(24)20-11-10-19-14-9-8-12-6-4-5-7-13(12)21-14/h4-9H,10-11H2,1-3H3,(H,19,21)(H,20,24)
InChIKeyAZULLZHKWBJTCX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.76
Rot. Bonds5

About 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 126840990) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID126840990
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)NCCNc2ccc3ccccc3n2)o1
InChIInChI=1S/C18H21N5O2/c1-18(2,3)17-23-22-16(25-17)15(24)20-11-10-19-14-9-8-12-6-4-5-7-13(12)21-14/h4-9H,10-11H2,1-3H3,(H,19,21)(H,20,24)
InChIKeyAZULLZHKWBJTCX-UHFFFAOYSA-N
XLogP2.76
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
CID 86975020
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
3-methyl-N-[2-(quinolin-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71991071
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
3-(quinolin-2-ylamino)propan-1-ol
CID 581988
N-propyl-3-(quinolin-2-ylamino)propanamide
CID 61065980
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111405947
2-methyl-1-[2-(quinolin-2-ylamino)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471631
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293049
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide (CID 126840990) is 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)c1nnc(C(=O)NCCNc2ccc3ccccc3n2)o1.
What is the InChIKey of 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AZULLZHKWBJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-18(2,3)17-23-22-16(25-17)15(24)20-11-10-19-14-9-8-12-6-4-5-7-13(12)21-14/h4-9H,10-11H2,1-3H3,(H,19,21)(H,20,24).
What are the key properties of 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 126840990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).