1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one

C18H23N3O2 — CID 119470188

IUPAC1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
SMILESCC1CNCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H23N3O2/c1-14-12-19-10-11-21(14)18(22)9-5-8-17-20-13-16(23-17)15-6-3-2-4-7-15/h2-4,6-7,13-14,19H,5,8-12H2,1H3
InChIKeyWIZYMGHJTWHCML-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one

1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one (PubChem CID 119470188) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
PubChem CID119470188
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
SMILESCC1CNCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H23N3O2/c1-14-12-19-10-11-21(14)18(22)9-5-8-17-20-13-16(23-17)15-6-3-2-4-7-15/h2-4,6-7,13-14,19H,5,8-12H2,1H3
InChIKeyWIZYMGHJTWHCML-UHFFFAOYSA-N
XLogP2.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178434
1-[3-(hydroxymethyl)piperidin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 110890206
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 55691412
N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 120601511
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 18152603
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
1-(7-methyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 138016287
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 55686824

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one (CID 119470188) is 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one is CC1CNCCN1C(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one?
The InChIKey is WIZYMGHJTWHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-12-19-10-11-21(14)18(22)9-5-8-17-20-13-16(23-17)15-6-3-2-4-7-15/h2-4,6-7,13-14,19H,5,8-12H2,1H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one?
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 119470188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).