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

C15H19N3O3 — CID 104783070

IUPAC4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2c(C)noc2C)ccc1N
InChIInChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-15(19)11-5-6-12(16)13(7-11)20-4/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyDJLRRTOIVUMDEA-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.37
Rot. Bonds4

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

4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide (PubChem CID 104783070) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
PubChem CID104783070
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2c(C)noc2C)ccc1N
InChIInChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-15(19)11-5-6-12(16)13(7-11)20-4/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyDJLRRTOIVUMDEA-UHFFFAOYSA-N
XLogP2.37
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
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]-4-fluoro-3-methylbenzamide
CID 78961178
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808
2-(2-aminophenoxy)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79224343
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(ethylamino)benzamide
CID 79231664
5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78961181
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide (CID 104783070) is 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2c(C)noc2C)ccc1N.
What is the InChIKey of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide?
The InChIKey is DJLRRTOIVUMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8(14-9(2)18-21-10(14)3)17-15(19)11-5-6-12(16)13(7-11)20-4/h5-8H,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide?
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide has a molecular weight of 289.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 104783070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).