4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide

C17H16N2O2 — CID 95786807

IUPAC4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O2/c1-11(19-17(20)16-12(2)18-10-21-16)14-8-7-13-5-3-4-6-15(13)9-14/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyGNHAVGUCBHVHJH-LLVKDONJSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds3

About 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide

4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide (PubChem CID 95786807) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
PubChem CID95786807
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C17H16N2O2/c1-11(19-17(20)16-12(2)18-10-21-16)14-8-7-13-5-3-4-6-15(13)9-14/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyGNHAVGUCBHVHJH-LLVKDONJSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
3-cyano-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 7899681
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide (CID 95786807) is 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)N[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GNHAVGUCBHVHJH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(19-17(20)16-12(2)18-10-21-16)14-8-7-13-5-3-4-6-15(13)9-14/h3-11H,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide?
4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 95786807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).