2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide

C14H17N3O2 — CID 79225808

IUPAC2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccccc1N
InChIInChI=1S/C14H17N3O2/c1-8(13-9(2)17-19-10(13)3)16-14(18)11-6-4-5-7-12(11)15/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyOVVPYKRBFJHLAZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide (PubChem CID 79225808) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
PubChem CID79225808
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1ccccc1N
InChIInChI=1S/C14H17N3O2/c1-8(13-9(2)17-19-10(13)3)16-14(18)11-6-4-5-7-12(11)15/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeyOVVPYKRBFJHLAZ-UHFFFAOYSA-N
XLogP2.36
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103755407
6-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-2-carboxamide
CID 79238480
2-(2-aminophenoxy)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79224343
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 86797727
3-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzamide
CID 79465552
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 78961100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide (CID 79225808) is 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide is Cc1noc(C)c1C(C)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
The InChIKey is OVVPYKRBFJHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8(13-9(2)17-19-10(13)3)16-14(18)11-6-4-5-7-12(11)15/h4-8H,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide?
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 79225808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).