N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide

C22H28N4O4 — CID 163277133

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCN(C)C(=O)C1
InChIInChI=1S/C22H28N4O4/c1-14-21(15(2)30-24-14)18-12-17(23-22(28)16-4-5-16)6-7-19(18)29-11-10-26-9-8-25(3)20(27)13-26/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,23,28)
InChIKeyFMSOBAIIXDSZDD-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.46
Rot. Bonds7

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 163277133) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID163277133
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCN(C)C(=O)C1
InChIInChI=1S/C22H28N4O4/c1-14-21(15(2)30-24-14)18-12-17(23-22(28)16-4-5-16)6-7-19(18)29-11-10-26-9-8-25(3)20(27)13-26/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,23,28)
InChIKeyFMSOBAIIXDSZDD-UHFFFAOYSA-N
XLogP2.46
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
cis-(1S,2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163277092
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 163277173
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
CID 163277112
cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277064
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 163276893
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-[methyl(2-methylsulfinylethyl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 163276973
2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 176870040
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide (CID 163277133) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide is Cc1noc(C)c1-c1cc(NC(=O)C2CC2)ccc1OCCN1CCN(C)C(=O)C1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is FMSOBAIIXDSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-14-21(15(2)30-24-14)18-12-17(23-22(28)16-4-5-16)6-7-19(18)29-11-10-26-9-8-25(3)20(27)13-26/h6-7,12,16H,4-5,8-11,13H2,1-3H3,(H,23,28).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 163277133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).