N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide

C21H27ClN4O3 — CID 86879435

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
SMILESCc1noc(C)c1CC(=O)N1CCN(C(C)C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C21H27ClN4O3/c1-13-18(22)6-5-7-19(13)23-21(28)15(3)25-8-10-26(11-9-25)20(27)12-17-14(2)24-29-16(17)4/h5-7,15H,8-12H2,1-4H3,(H,23,28)
InChIKeyHRMUAOOXRJLQDS-UHFFFAOYSA-N
MW418.93 g/mol
LogP2.97
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide (PubChem CID 86879435) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
PubChem CID86879435
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide
SMILESCc1noc(C)c1CC(=O)N1CCN(C(C)C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C21H27ClN4O3/c1-13-18(22)6-5-7-19(13)23-21(28)15(3)25-8-10-26(11-9-25)20(27)12-17-14(2)24-29-16(17)4/h5-7,15H,8-12H2,1-4H3,(H,23,28)
InChIKeyHRMUAOOXRJLQDS-UHFFFAOYSA-N
XLogP2.97
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
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2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86879409
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
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1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
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CID 46630775
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
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N-(3-chloro-2-methylphenyl)-2-(4-pentylsulfonylpiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide (CID 86879435) is N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide is Cc1noc(C)c1CC(=O)N1CCN(C(C)C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is HRMUAOOXRJLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3/c1-13-18(22)6-5-7-19(13)23-21(28)15(3)25-8-10-26(11-9-25)20(27)12-17-14(2)24-29-16(17)4/h5-7,15H,8-12H2,1-4H3,(H,23,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 418.93 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 86879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).