3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide

C16H17ClN2O4 — CID 99982692

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide (PubChem CID 99982692) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide
• PubChem CID: 99982692
• Molecular Formula: C16H17ClN2O4
• Molecular Weight: 336.77 g/mol
• Exact Mass: 336.09
• IUPAC Name: 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide
• SMILES: O=C(CCc1cc(Cl)no1)NCC[C@@H]1COc2ccccc2O1
• InChI: InChI=1S/C16H17ClN2O4/c17-15-9-11(23-19-15)5-6-16(20)18-8-7-12-10-21-13-3-1-2-4-14(13)22-12/h1-4,9,12H,5-8,10H2,(H,18,20)/t12-/m1/s1
• InChIKey: NKPOUWGHJGNZNS-GFCCVEGCSA-N
• XLogP: 2.61
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.77
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide?

The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide (CID 99982692) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide.

What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide?

The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide is O=C(CCc1cc(Cl)no1)NCC[C@@H]1COc2ccccc2O1.

What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide?

The InChIKey is NKPOUWGHJGNZNS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c17-15-9-11(23-19-15)5-6-16(20)18-8-7-12-10-21-13-3-1-2-4-14(13)22-12/h1-4,9,12H,5-8,10H2,(H,18,20)/t12-/m1/s1.

What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide?

3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide has a molecular weight of 336.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]propanamide is sourced from PubChem (CID 99982692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).