4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119504426

IUPAC4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1oc(-c2ccccc2)nc1C.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-12(13(18)16-9-8-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H
InChIKeyZQNBPFVCNITBAF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.02
Rot. Bonds5

About 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride

4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 119504426) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID119504426
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1oc(-c2ccccc2)nc1C.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10-12(13(18)16-9-8-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H
InChIKeyZQNBPFVCNITBAF-UHFFFAOYSA-N
XLogP2.02
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.02
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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873836
4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119514825
2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 119609069
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873834
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
4-methyl-N-[(4-methylphenyl)methylideneamino]-2-phenyl-1,3-oxazole-5-carboxamide
CID 70622767
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873822
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
N-(5-chloro-2-fluorophenyl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71871784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride (CID 119504426) is 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride is CNCCNC(=O)c1oc(-c2ccccc2)nc1C.Cl.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is ZQNBPFVCNITBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10-12(13(18)16-9-8-15-2)19-14(17-10)11-6-4-3-5-7-11;/h3-7,15H,8-9H2,1-2H3,(H,16,18);1H.
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride?
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119504426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).