N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide

C25H24N2O2 — CID 40613949

IUPACN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1
InChIInChI=1S/C25H24N2O2/c1-4-17(3)18-11-12-23-22(15-18)27-25(29-23)20-9-6-10-21(14-20)26-24(28)19-8-5-7-16(2)13-19/h5-15,17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyQFNRYWNGCCUYMD-QGZVFWFLSA-N
MW384.48 g/mol
LogP6.57
Rot. Bonds5

About N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide (PubChem CID 40613949) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
PubChem CID40613949
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1
InChIInChI=1S/C25H24N2O2/c1-4-17(3)18-11-12-23-22(15-18)27-25(29-23)20-9-6-10-21(14-20)26-24(28)19-8-5-7-16(2)13-19/h5-15,17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyQFNRYWNGCCUYMD-QGZVFWFLSA-N
XLogP6.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
CID 7596290
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethylbenzamide
CID 40615869
N-[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5065867
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 3923303
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chloro-4-methoxybenzamide
CID 27235945
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 40615868
3-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3361312
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-nitrobenzamide
CID 2192684

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide (CID 40613949) is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide is CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4)c3)nc2c1.
What is the InChIKey of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide?
The InChIKey is QFNRYWNGCCUYMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-4-17(3)18-11-12-23-22(15-18)27-25(29-23)20-9-6-10-21(14-20)26-24(28)19-8-5-7-16(2)13-19/h5-15,17H,4H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide?
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 40613949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).