N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide

C18H23N3O3 — CID 71936259

IUPACN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)(C)c1nc(-c2ccc(NC(=O)C3CCOCC3)cc2)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)12-4-6-14(7-5-12)19-16(22)13-8-10-23-11-9-13/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeyUVELHFAZGHTHMM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide

N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide (PubChem CID 71936259) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
PubChem CID71936259
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
SMILESCC(C)(C)c1nc(-c2ccc(NC(=O)C3CCOCC3)cc2)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)12-4-6-14(7-5-12)19-16(22)13-8-10-23-11-9-13/h4-7,13H,8-11H2,1-3H3,(H,19,22)
InChIKeyUVELHFAZGHTHMM-UHFFFAOYSA-N
XLogP3.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide
CID 119767467
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119767466
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71883583
(2S)-N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-ethoxypropanamide
CID 95154294
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide (CID 71936259) is N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide is CC(C)(C)c1nc(-c2ccc(NC(=O)C3CCOCC3)cc2)no1.
What is the InChIKey of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide?
The InChIKey is UVELHFAZGHTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)17-20-15(21-24-17)12-4-6-14(7-5-12)19-16(22)13-8-10-23-11-9-13/h4-7,13H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide?
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 71936259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).