N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

C20H28N4O3 — CID 55432413

IUPACN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C20H28N4O3/c1-4-26-19-8-6-5-7-18(19)21-20(25)16(3)24-11-9-23(10-12-24)14-17-13-15(2)27-22-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)
InChIKeyKHNUASPFZSKLGA-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.53
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide

N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432413) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
PubChem CID55432413
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)C(C)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C20H28N4O3/c1-4-26-19-8-6-5-7-18(19)21-20(25)16(3)24-11-9-23(10-12-24)14-17-13-15(2)27-22-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)
InChIKeyKHNUASPFZSKLGA-UHFFFAOYSA-N
XLogP2.53
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9444487
N-(2-bromo-4-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide
CID 55432438
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9493947
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30728174
N-(2-ethoxyphenyl)-2-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048640
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide (CID 55432413) is N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is CCOc1ccccc1NC(=O)C(C)N1CCN(Cc2cc(C)on2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is KHNUASPFZSKLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-26-19-8-6-5-7-18(19)21-20(25)16(3)24-11-9-23(10-12-24)14-17-13-15(2)27-22-17/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide?
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).