N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride

C16H23ClN4O3 — CID 120892494

IUPACN-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)N[C@H](c1nc(-c2ccc(CN)cc2)no1)C(C)C.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-10(2)14(18-13(21)9-22-3)16-19-15(20-23-16)12-6-4-11(8-17)5-7-12;/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,21);1H/t14-;/m0./s1
InChIKeyJFDGVBNAVUUWNS-UQKRIMTDSA-N
MW354.84 g/mol
LogP2.08
Rot. Bonds7

About N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride

N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride (PubChem CID 120892494) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride
PubChem CID120892494
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC NameN-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)N[C@H](c1nc(-c2ccc(CN)cc2)no1)C(C)C.Cl
InChIInChI=1S/C16H22N4O3.ClH/c1-10(2)14(18-13(21)9-22-3)16-19-15(20-23-16)12-6-4-11(8-17)5-7-12;/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,21);1H/t14-;/m0./s1
InChIKeyJFDGVBNAVUUWNS-UQKRIMTDSA-N
XLogP2.08
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine
CID 120893373
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
3,3-dimethyl-N-[(1S)-2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl]butanamide
CID 98926582
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
CID 61278568
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916
N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-2-phenylmethoxyacetamide
CID 98370312
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
1-[[4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120893284

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride (CID 120892494) is N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride is COCC(=O)N[C@H](c1nc(-c2ccc(CN)cc2)no1)C(C)C.Cl.
What is the InChIKey of N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride?
The InChIKey is JFDGVBNAVUUWNS-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H22N4O3.ClH/c1-10(2)14(18-13(21)9-22-3)16-19-15(20-23-16)12-6-4-11(8-17)5-7-12;/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,21);1H/t14-;/m0./s1.
What are the key properties of N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride?
N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 120892494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).