N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide

C14H16N2O2 — CID 112760258

IUPACN-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-3-12-13(10(2)16-18-12)14(17)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyXMYHNNGILHUBFB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds4

About N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide

N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112760258) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID112760258
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-3-12-13(10(2)16-18-12)14(17)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17)
InChIKeyXMYHNNGILHUBFB-UHFFFAOYSA-N
XLogP2.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 86798207
5-ethyl-3-methyl-N-(4-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2571454
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
N-(4-bromophenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112760658
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
5-ethyl-N-[(3R)-3-hydroxy-4-methylpentyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 99855966
N-(4-tert-butylphenyl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 2441877
N-[4-(dimethylcarbamoyl)phenyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112794910
N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
3-methyl-5-(2-methylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 46096895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 112760258) is N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XMYHNNGILHUBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-12-13(10(2)16-18-12)14(17)15-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,15,17).
What are the key properties of N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112760258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).