N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide

C22H27N3O4 — CID 67507806

IUPACN-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@H](C)O)cc(N3C(=O)OC[C@H]3C(C)C)c2)nc1
InChIInChI=1S/C22H27N3O4/c1-13(2)20-12-29-22(28)25(20)18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-11-15(4)26/h5-10,13,15,20,26H,11-12H2,1-4H3,(H,24,27)/t15-,20-/m0/s1
InChIKeyIPMOZKQXFDDHKY-YWZLYKJASA-N
MW397.48 g/mol
LogP3.15
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide

N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide (PubChem CID 67507806) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
PubChem CID67507806
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)NC[C@H](C)O)cc(N3C(=O)OC[C@H]3C(C)C)c2)nc1
InChIInChI=1S/C22H27N3O4/c1-13(2)20-12-29-22(28)25(20)18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-11-15(4)26/h5-10,13,15,20,26H,11-12H2,1-4H3,(H,24,27)/t15-,20-/m0/s1
InChIKeyIPMOZKQXFDDHKY-YWZLYKJASA-N
XLogP3.15
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide (CID 67507806) is N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide is Cc1ccc(-c2cc(C(=O)NC[C@H](C)O)cc(N3C(=O)OC[C@H]3C(C)C)c2)nc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide?
The InChIKey is IPMOZKQXFDDHKY-YWZLYKJASA-N. The full InChI is InChI=1S/C22H27N3O4/c1-13(2)20-12-29-22(28)25(20)18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-11-15(4)26/h5-10,13,15,20,26H,11-12H2,1-4H3,(H,24,27)/t15-,20-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide?
N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-pyridinyl)-5-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]benzamide is sourced from PubChem (CID 67507806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).