3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one

C20H24ClN5O4 — CID 58287727

About 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one (PubChem CID 58287727) has the molecular formula C20H24ClN5O4 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
• PubChem CID: 58287727
• Molecular Formula: C20H24ClN5O4
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.15
• IUPAC Name: 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
• SMILES: O=C(CCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)[C@H](O)C1CCCC1
• InChI: InChI=1S/C20H24ClN5O4/c21-15-6-7-16(25-12-22-23-24-25)14(11-15)5-8-18(27)17-9-10-30-26(17)20(29)19(28)13-3-1-2-4-13/h6-7,11-13,17,19,28H,1-5,8-10H2/t17-,19+/m0/s1
• InChIKey: CNRNUMDHACWUND-PKOBYXMFSA-N
• XLogP: 1.90
• TPSA: 110.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?

The IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one (CID 58287727) is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one.

What is the SMILES notation for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?

The canonical SMILES for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one is O=C(CCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)[C@H](O)C1CCCC1.

What is the InChIKey of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?

The InChIKey is CNRNUMDHACWUND-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H24ClN5O4/c21-15-6-7-16(25-12-22-23-24-25)14(11-15)5-8-18(27)17-9-10-30-26(17)20(29)19(28)13-3-1-2-4-13/h6-7,11-13,17,19,28H,1-5,8-10H2/t17-,19+/m0/s1.

What are the key properties of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one?

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one has a molecular weight of 433.90 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 58287727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).