2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one

C19H27N5O3 — CID 18540089

IUPAC2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(OCCCN3CCN(C(=O)C(C)N)CC3)cc2)no1
InChIInChI=1S/C19H27N5O3/c1-14(20)19(25)24-11-9-23(10-12-24)8-3-13-26-17-6-4-16(5-7-17)18-21-15(2)27-22-18/h4-7,14H,3,8-13,20H2,1-2H3
InChIKeyHMYRCKZWUHFBSK-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.31
Rot. Bonds7

About 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one

2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one (PubChem CID 18540089) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one
PubChem CID18540089
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(-c2ccc(OCCCN3CCN(C(=O)C(C)N)CC3)cc2)no1
InChIInChI=1S/C19H27N5O3/c1-14(20)19(25)24-11-9-23(10-12-24)8-3-13-26-17-6-4-16(5-7-17)18-21-15(2)27-22-18/h4-7,14H,3,8-13,20H2,1-2H3
InChIKeyHMYRCKZWUHFBSK-UHFFFAOYSA-N
XLogP1.31
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
CID 12016525
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
(2R)-2-amino-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]-1,4-diazepan-1-yl]propan-1-one
CID 70033004
1-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 55572686
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 95859468
[(2R)-1-[4-[3-(4-acetylphenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70034589
[(2S)-1-[4-[3-(4-bromophenoxy)propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 70031570
(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-methylbutan-1-one
CID 102463540
4-[3-[4-[(2R)-2-aminopropanoyl]-1,4-diazepan-1-yl]propoxy]-2-fluorobenzonitrile
CID 70035526
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119839906
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839905
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one (CID 18540089) is 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one is Cc1nc(-c2ccc(OCCCN3CCN(C(=O)C(C)N)CC3)cc2)no1.
What is the InChIKey of 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one?
The InChIKey is HMYRCKZWUHFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-14(20)19(25)24-11-9-23(10-12-24)8-3-13-26-17-6-4-16(5-7-17)18-21-15(2)27-22-18/h4-7,14H,3,8-13,20H2,1-2H3.
What are the key properties of 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one?
2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one has a molecular weight of 373.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18540089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).