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

C19H17N3O3 — CID 2961612

IUPACN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCO1
InChIInChI=1S/C19H17N3O3/c23-17(16-10-5-11-24-16)20-15-9-4-8-14(12-15)19-22-21-18(25-19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)
InChIKeyXEOGVQMTNQTIIN-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.52
Rot. Bonds4

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

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 2961612) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID2961612
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCO1
InChIInChI=1S/C19H17N3O3/c23-17(16-10-5-11-24-16)20-15-9-4-8-14(12-15)19-22-21-18(25-19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23)
InChIKeyXEOGVQMTNQTIIN-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
CID 9323003
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
N-phenyloxolane-2-carboxamide
CID 3453643
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]oxolane-2-carboxamide
CID 45153659
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide (CID 2961612) is N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCO1.
What is the InChIKey of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is XEOGVQMTNQTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17(16-10-5-11-24-16)20-15-9-4-8-14(12-15)19-22-21-18(25-19)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11H2,(H,20,23).
What are the key properties of N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide?
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2961612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).