3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide

C14H20ClN3O5 — CID 118776072

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)CCc2cc(Cl)no2)[C@H](O)C1
InChIInChI=1S/C14H20ClN3O5/c1-22-8-14(21)18-5-4-10(11(19)7-18)16-13(20)3-2-9-6-12(15)17-23-9/h6,10-11,19H,2-5,7-8H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyPOFNIWIETPNZMN-GHMZBOCLSA-N
MW345.78 g/mol
LogP-0.01
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide (PubChem CID 118776072) has the molecular formula C14H20ClN3O5 and a molecular weight of 345.78 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide
PubChem CID118776072
Molecular FormulaC14H20ClN3O5
Molecular Weight345.78 g/mol
Exact Mass345.11
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide
SMILESCOCC(=O)N1CC[C@@H](NC(=O)CCc2cc(Cl)no2)[C@H](O)C1
InChIInChI=1S/C14H20ClN3O5/c1-22-8-14(21)18-5-4-10(11(19)7-18)16-13(20)3-2-9-6-12(15)17-23-9/h6,10-11,19H,2-5,7-8H2,1H3,(H,16,20)/t10-,11-/m1/s1
InChIKeyPOFNIWIETPNZMN-GHMZBOCLSA-N
XLogP-0.01
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide (CID 118776072) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide is COCC(=O)N1CC[C@@H](NC(=O)CCc2cc(Cl)no2)[C@H](O)C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide?
The InChIKey is POFNIWIETPNZMN-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20ClN3O5/c1-22-8-14(21)18-5-4-10(11(19)7-18)16-13(20)3-2-9-6-12(15)17-23-9/h6,10-11,19H,2-5,7-8H2,1H3,(H,16,20)/t10-,11-/m1/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide has a molecular weight of 345.78 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 118776072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).