N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide

C17H22N2O2 — CID 7295882

IUPACN-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(C2=NO[C@H](CN(C)C(=O)C3CCC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-13(9-7-12)16-10-15(21-18-16)11-19(2)17(20)14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3/t15-/m0/s1
InChIKeyYJLQJPCPSLVIDA-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds4

About N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide

N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (PubChem CID 7295882) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
PubChem CID7295882
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
SMILESCc1ccc(C2=NO[C@H](CN(C)C(=O)C3CCC3)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-6-8-13(9-7-12)16-10-15(21-18-16)11-19(2)17(20)14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3/t15-/m0/s1
InChIKeyYJLQJPCPSLVIDA-HNNXBMFYSA-N
XLogP2.75
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide (CID 7295882) is N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is Cc1ccc(C2=NO[C@H](CN(C)C(=O)C3CCC3)C2)cc1.
What is the InChIKey of N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
The InChIKey is YJLQJPCPSLVIDA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-8-13(9-7-12)16-10-15(21-18-16)11-19(2)17(20)14-4-3-5-14/h6-9,14-15H,3-5,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide?
N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 7295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).