N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide

C25H24N2O3 — CID 54858052

IUPACN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(C)cc(C)c4o3)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(15-21)25(28)26-20-10-8-18(9-11-20)14-23-27-22-13-16(2)12-17(3)24(22)30-23/h5-13,15H,4,14H2,1-3H3,(H,26,28)
InChIKeyOFXIXOIMYHVVNX-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.69
Rot. Bonds6

About N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide

N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide (PubChem CID 54858052) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
PubChem CID54858052
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(C)cc(C)c4o3)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(15-21)25(28)26-20-10-8-18(9-11-20)14-23-27-22-13-16(2)12-17(3)24(22)30-23/h5-13,15H,4,14H2,1-3H3,(H,26,28)
InChIKeyOFXIXOIMYHVVNX-UHFFFAOYSA-N
XLogP5.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 54859331
N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858068
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methylbenzamide
CID 54859479
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
CID 1364099
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
CID 54858483
2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858688
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859309
4-chloro-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]benzamide
CID 54859406
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]pentanamide
CID 54859496
N-[[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-propoxybenzamide
CID 54859634

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide (CID 54858052) is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(Cc3nc4cc(C)cc(C)c4o3)cc2)c1.
What is the InChIKey of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
The InChIKey is OFXIXOIMYHVVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(15-21)25(28)26-20-10-8-18(9-11-20)14-23-27-22-13-16(2)12-17(3)24(22)30-23/h5-13,15H,4,14H2,1-3H3,(H,26,28).
What are the key properties of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide?
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 54858052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).