N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide

C18H18N2O2 — CID 46087279

IUPACN-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C18H18N2O2/c1-3-10-20(2)18(21)16-12-17(22-19-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3
InChIKeyOKZPATIYUHUKNC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.98
Rot. Bonds4

About N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide

N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 46087279) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID46087279
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C18H18N2O2/c1-3-10-20(2)18(21)16-12-17(22-19-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3
InChIKeyOKZPATIYUHUKNC-UHFFFAOYSA-N
XLogP3.98
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide (CID 46087279) is N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide is CCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is OKZPATIYUHUKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-10-20(2)18(21)16-12-17(22-19-16)15-9-8-13-6-4-5-7-14(13)11-15/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-naphthalen-2-yl-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).