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

C21H22N2O3 — CID 133150062

IUPACN-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1
InChIInChI=1S/C21H22N2O3/c1-4-14(2)23-20(24)17-10-5-6-11-18(17)21-22-13-19(26-21)15-8-7-9-16(12-15)25-3/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyLKZYBFSHSHQEFL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.55
Rot. Bonds6

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

N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 133150062) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID133150062
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1
InChIInChI=1S/C21H22N2O3/c1-4-14(2)23-20(24)17-10-5-6-11-18(17)21-22-13-19(26-21)15-8-7-9-16(12-15)25-3/h5-14H,4H2,1-3H3,(H,23,24)
InChIKeyLKZYBFSHSHQEFL-UHFFFAOYSA-N
XLogP4.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
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
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-pentan-2-ylbenzamide
CID 133159870
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 133150062) is N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1.
What is the InChIKey of N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is LKZYBFSHSHQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-14(2)23-20(24)17-10-5-6-11-18(17)21-22-13-19(26-21)15-8-7-9-16(12-15)25-3/h5-14H,4H2,1-3H3,(H,23,24).
What are the key properties of N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 133150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).