N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide

C24H28N4O4 — CID 58310287

IUPACN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)oc2n1)C(C)C
InChIInChI=1S/C24H28N4O4/c1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t19-,22-/m0/s1
InChIKeyHKBNATBSTAXODZ-UGKGYDQZSA-N
MW436.51 g/mol
LogP2.86
Rot. Bonds7

About N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide

N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide (PubChem CID 58310287) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide
PubChem CID58310287
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)oc2n1)C(C)C
InChIInChI=1S/C24H28N4O4/c1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t19-,22-/m0/s1
InChIKeyHKBNATBSTAXODZ-UGKGYDQZSA-N
XLogP2.86
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide (CID 58310287) is N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide is CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)oc2n1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide?
The InChIKey is HKBNATBSTAXODZ-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t19-,22-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide?
N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]oxazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide is sourced from PubChem (CID 58310287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).