2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide

C18H27N5O2 — CID 51726905

IUPAC2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1
InChIInChI=1S/C18H27N5O2/c1-3-4-13(2)20-16(24)12-22-7-9-23(10-8-22)18-15(11-19)21-17(25-18)14-5-6-14/h13-14H,3-10,12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyFRLIZHVYCOUGNG-ZDUSSCGKSA-N
MW345.45 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide

2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 51726905) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
PubChem CID51726905
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1
InChIInChI=1S/C18H27N5O2/c1-3-4-13(2)20-16(24)12-22-7-9-23(10-8-22)18-15(11-19)21-17(25-18)14-5-6-14/h13-14H,3-10,12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyFRLIZHVYCOUGNG-ZDUSSCGKSA-N
XLogP1.85
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide (CID 51726905) is 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1.
What is the InChIKey of 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is FRLIZHVYCOUGNG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-4-13(2)20-16(24)12-22-7-9-23(10-8-22)18-15(11-19)21-17(25-18)14-5-6-14/h13-14H,3-10,12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide?
2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)piperazin-1-yl]-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 51726905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).