2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide

C20H30N4O3 — CID 66988783

IUPAC2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide
SMILESCCCCCCCc1nc(-c2ccc(CNC(=O)C(N)CCO)cc2)no1
InChIInChI=1S/C20H30N4O3/c1-2-3-4-5-6-7-18-23-19(24-27-18)16-10-8-15(9-11-16)14-22-20(26)17(21)12-13-25/h8-11,17,25H,2-7,12-14,21H2,1H3,(H,22,26)
InChIKeyZJNLUYOVUXGXHQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.58
Rot. Bonds12

About 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide

2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide (PubChem CID 66988783) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide
PubChem CID66988783
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide
SMILESCCCCCCCc1nc(-c2ccc(CNC(=O)C(N)CCO)cc2)no1
InChIInChI=1S/C20H30N4O3/c1-2-3-4-5-6-7-18-23-19(24-27-18)16-10-8-15(9-11-16)14-22-20(26)17(21)12-13-25/h8-11,17,25H,2-7,12-14,21H2,1H3,(H,22,26)
InChIKeyZJNLUYOVUXGXHQ-UHFFFAOYSA-N
XLogP2.58
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypropanamide
CID 170355360
5-amino-6-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-6-oxohexanoic acid
CID 170355190
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 170355390
[(2S)-1-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 170355423
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
(2R)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45254608
2-amino-4-hydroxy-N-(4-octylphenyl)butanamide
CID 45483181
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide?
The IUPAC name of 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide (CID 66988783) is 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide.
What is the SMILES notation for 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide?
The canonical SMILES for 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide is CCCCCCCc1nc(-c2ccc(CNC(=O)C(N)CCO)cc2)no1.
What is the InChIKey of 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide?
The InChIKey is ZJNLUYOVUXGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-3-4-5-6-7-18-23-19(24-27-18)16-10-8-15(9-11-16)14-22-20(26)17(21)12-13-25/h8-11,17,25H,2-7,12-14,21H2,1H3,(H,22,26).
What are the key properties of 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide?
2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide has a molecular weight of 374.49 g/mol, XLogP of 2.58, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide is sourced from PubChem (CID 66988783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).