[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

C18H23N3O3 — CID 97237412

IUPAC[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCC[C@H](CO)N1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-16(12-22)20-7-9-21(10-8-20)18(23)15-5-3-14(4-6-15)17-11-19-13-24-17/h3-6,11,13,16,22H,2,7-10,12H2,1H3/t16-/m1/s1
InChIKeyHLVWATQAGKVBAI-MRXNPFEDSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds5

About [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone

[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (PubChem CID 97237412) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
PubChem CID97237412
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
SMILESCC[C@H](CO)N1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1
InChIInChI=1S/C18H23N3O3/c1-2-16(12-22)20-7-9-21(10-8-20)18(23)15-5-3-14(4-6-15)17-11-19-13-24-17/h3-6,11,13,16,22H,2,7-10,12H2,1H3/t16-/m1/s1
InChIKeyHLVWATQAGKVBAI-MRXNPFEDSA-N
XLogP1.87
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone with MolForge

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Related Compounds

(4-ethylsulfanylphenyl)-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methanone
CID 110000381
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 72864460
(4-chloro-3-methylphenyl)-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]methanone
CID 99776499
[4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 111489787
3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95327535
(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 131902419
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930
[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-(3-nitro-4-propan-2-ylphenyl)methanone
CID 99830178
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone (CID 97237412) is [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is CC[C@H](CO)N1CCN(C(=O)c2ccc(-c3cnco3)cc2)CC1.
What is the InChIKey of [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
The InChIKey is HLVWATQAGKVBAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-16(12-22)20-7-9-21(10-8-20)18(23)15-5-3-14(4-6-15)17-11-19-13-24-17/h3-6,11,13,16,22H,2,7-10,12H2,1H3/t16-/m1/s1.
What are the key properties of [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone?
[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97237412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).