(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide

C19H23N3O3S — CID 171336924

IUPAC(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCOCC1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccsc2)no1
InChIInChI=1S/C19H23N3O3S/c23-18(20-14-3-6-24-7-4-14)15-11-1-2-12(9-11)16(15)19-21-17(22-25-19)13-5-8-26-10-13/h5,8,10-12,14-16H,1-4,6-7,9H2,(H,20,23)/t11-,12+,15-,16-/m0/s1
InChIKeyQQTYGFPWUXQUDS-VZAMPYOESA-N
MW373.48 g/mol
LogP3.22
Rot. Bonds4

About (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 171336924) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID171336924
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1CCOCC1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccsc2)no1
InChIInChI=1S/C19H23N3O3S/c23-18(20-14-3-6-24-7-4-14)15-11-1-2-12(9-11)16(15)19-21-17(22-25-19)13-5-8-26-10-13/h5,8,10-12,14-16H,1-4,6-7,9H2,(H,20,23)/t11-,12+,15-,16-/m0/s1
InChIKeyQQTYGFPWUXQUDS-VZAMPYOESA-N
XLogP3.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 171336924) is (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1CCOCC1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccsc2)no1.
What is the InChIKey of (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QQTYGFPWUXQUDS-VZAMPYOESA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-18(20-14-3-6-24-7-4-14)15-11-1-2-12(9-11)16(15)19-21-17(22-25-19)13-5-8-26-10-13/h5,8,10-12,14-16H,1-4,6-7,9H2,(H,20,23)/t11-,12+,15-,16-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-N-(oxan-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 171336924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).