N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide

C19H26N4O2 — CID 95327535

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-22-8-10-23(11-9-22)15(2)12-21-19(24)17-6-4-16(5-7-17)18-13-20-14-25-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyMMYUYUCOJQFGAY-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.10
Rot. Bonds6

About N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 95327535) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID95327535
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-22-8-10-23(11-9-22)15(2)12-21-19(24)17-6-4-16(5-7-17)18-13-20-14-25-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyMMYUYUCOJQFGAY-OAHLLOKOSA-N
XLogP2.10
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide (CID 95327535) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide is CCN1CCN([C@H](C)CNC(=O)c2ccc(-c3cnco3)cc2)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is MMYUYUCOJQFGAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-22-8-10-23(11-9-22)15(2)12-21-19(24)17-6-4-16(5-7-17)18-13-20-14-25-18/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 95327535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).