3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide

C16H18N2O2 — CID 11300214

IUPAC3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC1c2ccccc2CCC1C
InChIInChI=1S/C16H18N2O2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-16(19)14-9-20-18-11(14)2/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,19)
InChIKeySDXNKRQYZYBVOL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds2

About 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide

3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide (PubChem CID 11300214) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
PubChem CID11300214
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC1c2ccccc2CCC1C
InChIInChI=1S/C16H18N2O2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-16(19)14-9-20-18-11(14)2/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,19)
InChIKeySDXNKRQYZYBVOL-UHFFFAOYSA-N
XLogP3.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide (CID 11300214) is 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NC1c2ccccc2CCC1C.
What is the InChIKey of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is SDXNKRQYZYBVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-7-8-12-5-3-4-6-13(12)15(10)17-16(19)14-9-20-18-11(14)2/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide?
3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 11300214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).