N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

C18H18N2O2 — CID 6460335

IUPACN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2o1
InChIInChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-9-6-7-13(12(14)3)18-20-15-8-4-5-10-16(15)22-18/h4-11H,1-3H3,(H,19,21)
InChIKeyYCPAVZZBPSDVKB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.40
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide (PubChem CID 6460335) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
PubChem CID6460335
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2o1
InChIInChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-9-6-7-13(12(14)3)18-20-15-8-4-5-10-16(15)22-18/h4-11H,1-3H3,(H,19,21)
InChIKeyYCPAVZZBPSDVKB-UHFFFAOYSA-N
XLogP4.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
CID 135030644
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 2285383
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 1018550
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]oxolane-2-carboxamide
CID 17361713
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-nitrobenzamide
CID 3364996
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3532031
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide (CID 6460335) is N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide is Cc1c(NC(=O)C(C)C)cccc1-c1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
The InChIKey is YCPAVZZBPSDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11(2)17(21)19-14-9-6-7-13(12(14)3)18-20-15-8-4-5-10-16(15)22-18/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide?
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 6460335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).