4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride

C15H20ClN3O2 — CID 119704467

IUPAC4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-17-10-14(20-11)12-5-7-13(8-6-12)18-15(19)4-3-9-16-2;/h5-8,10,16H,3-4,9H2,1-2H3,(H,18,19);1H
InChIKeySZNQYBVBKQTLGY-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.01
Rot. Bonds6

About 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride

4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride (PubChem CID 119704467) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
PubChem CID119704467
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-11-17-10-14(20-11)12-5-7-13(8-6-12)18-15(19)4-3-9-16-2;/h5-8,10,16H,3-4,9H2,1-2H3,(H,18,19);1H
InChIKeySZNQYBVBKQTLGY-UHFFFAOYSA-N
XLogP3.01
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
CID 112830792
3-methyl-N,N'-bis[4-(2-methyl-1,3-oxazol-5-yl)phenyl]hexanediamide
CID 112830791
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 71898657
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
CID 86632608
4-(methylamino)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide;dihydrochloride
CID 119883329
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride (CID 119704467) is 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride is CNCCCC(=O)Nc1ccc(-c2cnc(C)o2)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride?
The InChIKey is SZNQYBVBKQTLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-11-17-10-14(20-11)12-5-7-13(8-6-12)18-15(19)4-3-9-16-2;/h5-8,10,16H,3-4,9H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride?
4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119704467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).