(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one

C24H30N4O4 — CID 142479444

IUPAC(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCO[C@@H](C)c1nccn1Cc1cc(-c2ccc(C3CCN(C(=O)[C@H](C)O)CC3)cc2)on1
InChIInChI=1S/C24H30N4O4/c1-16(29)24(30)27-11-8-19(9-12-27)18-4-6-20(7-5-18)22-14-21(26-32-22)15-28-13-10-25-23(28)17(2)31-3/h4-7,10,13-14,16-17,19,29H,8-9,11-12,15H2,1-3H3/t16-,17-/m0/s1
InChIKeyJGVKVZFYKZMLSN-IRXDYDNUSA-N
MW438.53 g/mol
LogP3.38
Rot. Bonds7

About (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one

(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one (PubChem CID 142479444) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one
PubChem CID142479444
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one
SMILESCO[C@@H](C)c1nccn1Cc1cc(-c2ccc(C3CCN(C(=O)[C@H](C)O)CC3)cc2)on1
InChIInChI=1S/C24H30N4O4/c1-16(29)24(30)27-11-8-19(9-12-27)18-4-6-20(7-5-18)22-14-21(26-32-22)15-28-13-10-25-23(28)17(2)31-3/h4-7,10,13-14,16-17,19,29H,8-9,11-12,15H2,1-3H3/t16-,17-/m0/s1
InChIKeyJGVKVZFYKZMLSN-IRXDYDNUSA-N
XLogP3.38
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one (CID 142479444) is (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one is CO[C@@H](C)c1nccn1Cc1cc(-c2ccc(C3CCN(C(=O)[C@H](C)O)CC3)cc2)on1.
What is the InChIKey of (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one?
The InChIKey is JGVKVZFYKZMLSN-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-16(29)24(30)27-11-8-19(9-12-27)18-4-6-20(7-5-18)22-14-21(26-32-22)15-28-13-10-25-23(28)17(2)31-3/h4-7,10,13-14,16-17,19,29H,8-9,11-12,15H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one?
(2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one has a molecular weight of 438.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[4-[4-[3-[[2-[(1S)-1-methoxyethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).