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

C20H19N3O3 — CID 9323003

IUPAC(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1-c1nnc(-c2cccc(NC(=O)[C@@H]3CCCO3)c2)o1
InChIInChI=1S/C20H19N3O3/c1-13-6-2-3-9-16(13)20-23-22-19(26-20)14-7-4-8-15(12-14)21-18(24)17-10-5-11-25-17/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyLGWSMCQIHOAHDZ-KRWDZBQOSA-N
MW349.39 g/mol
LogP3.83
Rot. Bonds4

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

(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide (PubChem CID 9323003) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
PubChem CID9323003
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide
SMILESCc1ccccc1-c1nnc(-c2cccc(NC(=O)[C@@H]3CCCO3)c2)o1
InChIInChI=1S/C20H19N3O3/c1-13-6-2-3-9-16(13)20-23-22-19(26-20)14-7-4-8-15(12-14)21-18(24)17-10-5-11-25-17/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyLGWSMCQIHOAHDZ-KRWDZBQOSA-N
XLogP3.83
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
2-methyl-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2993930
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2976279
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
N-phenyloxolane-2-carboxamide
CID 3453643
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide (CID 9323003) is (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide is Cc1ccccc1-c1nnc(-c2cccc(NC(=O)[C@@H]3CCCO3)c2)o1.
What is the InChIKey of (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide?
The InChIKey is LGWSMCQIHOAHDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-6-2-3-9-16(13)20-23-22-19(26-20)14-7-4-8-15(12-14)21-18(24)17-10-5-11-25-17/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 9323003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).