N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C19H20N2O2 — CID 86948151

IUPACN-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cccc3ccccc23)on1
InChIInChI=1S/C19H20N2O2/c1-13(2)17-12-18(23-21-17)19(22)20-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyNKKSISQBRQFJBJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.92
Rot. Bonds5

About N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 86948151) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID86948151
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cccc3ccccc23)on1
InChIInChI=1S/C19H20N2O2/c1-13(2)17-12-18(23-21-17)19(22)20-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
InChIKeyNKKSISQBRQFJBJ-UHFFFAOYSA-N
XLogP3.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948250
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 25369331
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 84584001
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97125005
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
2-chloro-N-(2-naphthalen-1-ylethyl)benzamide
CID 46434104

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 86948151) is N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCCc2cccc3ccccc23)on1.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is NKKSISQBRQFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)17-12-18(23-21-17)19(22)20-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,12-13H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86948151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).