2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide

C13H15N3O2 — CID 90864078

IUPAC2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCCc1cc(CNc2ccccc2C(N)=O)on1
InChIInChI=1S/C13H15N3O2/c1-2-9-7-10(18-16-9)8-15-12-6-4-3-5-11(12)13(14)17/h3-7,15H,2,8H2,1H3,(H2,14,17)
InChIKeyJEWDFJNPNRUQMT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds5

About 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide

2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide (PubChem CID 90864078) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
PubChem CID90864078
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESCCc1cc(CNc2ccccc2C(N)=O)on1
InChIInChI=1S/C13H15N3O2/c1-2-9-7-10(18-16-9)8-15-12-6-4-3-5-11(12)13(14)17/h3-7,15H,2,8H2,1H3,(H2,14,17)
InChIKeyJEWDFJNPNRUQMT-UHFFFAOYSA-N
XLogP1.95
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzamide
CID 112578680
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
N,N-diethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 52758354
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
2-(cyanomethylamino)benzamide
CID 3086271
4-[(5-benzyl-1,2-oxazol-3-yl)methylamino]-3-methylbenzamide
CID 166321411
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[(4-chlorothiophen-2-yl)methylamino]benzamide
CID 165432866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide?
The IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide (CID 90864078) is 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide?
The canonical SMILES for 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide is CCc1cc(CNc2ccccc2C(N)=O)on1.
What is the InChIKey of 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide?
The InChIKey is JEWDFJNPNRUQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-9-7-10(18-16-9)8-15-12-6-4-3-5-11(12)13(14)17/h3-7,15H,2,8H2,1H3,(H2,14,17).
What are the key properties of 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide?
2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2-oxazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 90864078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).