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

C20H22N2O2 — CID 46092609

IUPACN-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C20H22N2O2/c1-3-4-7-12-22(2)20(23)18-14-19(24-21-18)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKeyWHSGFRIXUCKHMI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.76
Rot. Bonds6

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

N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide (PubChem CID 46092609) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide
PubChem CID46092609
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C20H22N2O2/c1-3-4-7-12-22(2)20(23)18-14-19(24-21-18)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKeyWHSGFRIXUCKHMI-UHFFFAOYSA-N
XLogP4.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide (CID 46092609) is N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide is CCCCCN(C)C(=O)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide?
The InChIKey is WHSGFRIXUCKHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-7-12-22(2)20(23)18-14-19(24-21-18)17-11-10-15-8-5-6-9-16(15)13-17/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3.
What are the key properties of N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide?
N-methyl-5-naphthalen-2-yl-N-pentyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.76, 6 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-pentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46092609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).