(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

C24H25N3O5 — CID 54584510

IUPAC(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESO=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C24H25N3O5/c28-21(22(29)24(31)27-13-4-7-20(27)18-5-2-1-3-6-18)23(30)25-15-16-8-10-17(11-9-16)19-12-14-32-26-19/h1-3,5-6,8-12,14,20-22,28-29H,4,7,13,15H2,(H,25,30)/t20-,21-,22-/m1/s1
InChIKeyQPPFZYFEMYRULM-YPAWHYETSA-N
MW435.48 g/mol
LogP2.04
Rot. Bonds7

About (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide

(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (PubChem CID 54584510) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
PubChem CID54584510
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
SMILESO=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C24H25N3O5/c28-21(22(29)24(31)27-13-4-7-20(27)18-5-2-1-3-6-18)23(30)25-15-16-8-10-17(11-9-16)19-12-14-32-26-19/h1-3,5-6,8-12,14,20-22,28-29H,4,7,13,15H2,(H,25,30)/t20-,21-,22-/m1/s1
InChIKeyQPPFZYFEMYRULM-YPAWHYETSA-N
XLogP2.04
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide (CID 54584510) is (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is O=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
The InChIKey is QPPFZYFEMYRULM-YPAWHYETSA-N. The full InChI is InChI=1S/C24H25N3O5/c28-21(22(29)24(31)27-13-4-7-20(27)18-5-2-1-3-6-18)23(30)25-15-16-8-10-17(11-9-16)19-12-14-32-26-19/h1-3,5-6,8-12,14,20-22,28-29H,4,7,13,15H2,(H,25,30)/t20-,21-,22-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide?
(2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide has a molecular weight of 435.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-[[4-(1,2-oxazol-3-yl)phenyl]methyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 54584510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).