2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide

C22H24N2O3 — CID 100501417

IUPAC2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H24N2O3/c1-4-8-15(2)24-21(25)18-11-5-6-12-19(18)22-23-14-20(27-22)16-9-7-10-17(13-16)26-3/h5-7,9-15H,4,8H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyLVWUVOMIOISPQW-HNNXBMFYSA-N
MW364.45 g/mol
LogP4.94
Rot. Bonds7

About 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide

2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide (PubChem CID 100501417) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
PubChem CID100501417
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
SMILESCCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H24N2O3/c1-4-8-15(2)24-21(25)18-11-5-6-12-19(18)22-23-14-20(27-22)16-9-7-10-17(13-16)26-3/h5-7,9-15H,4,8H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyLVWUVOMIOISPQW-HNNXBMFYSA-N
XLogP4.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100510062
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)benzamide
CID 133159873
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
N-(2,3-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500618

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide (CID 100501417) is 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide is CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide?
The InChIKey is LVWUVOMIOISPQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-8-15(2)24-21(25)18-11-5-6-12-19(18)22-23-14-20(27-22)16-9-7-10-17(13-16)26-3/h5-7,9-15H,4,8H2,1-3H3,(H,24,25)/t15-/m0/s1.
What are the key properties of 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide?
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide is sourced from PubChem (CID 100501417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).