N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide

C25H22Cl2N2O3 — CID 26019347

IUPACN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3)nc2c1
InChIInChI=1S/C25H22Cl2N2O3/c1-4-14(2)16-7-10-22-21(13-16)29-25(32-22)15-5-8-18(9-6-15)28-24(30)17-11-19(26)23(31-3)20(27)12-17/h5-14H,4H2,1-3H3,(H,28,30)/t14-/m1/s1
InChIKeyGZBFIJBBCKJDBC-CQSZACIVSA-N
MW469.37 g/mol
LogP7.58
Rot. Bonds6

About N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide

N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide (PubChem CID 26019347) has the molecular formula C25H22Cl2N2O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
PubChem CID26019347
Molecular FormulaC25H22Cl2N2O3
Molecular Weight469.37 g/mol
Exact Mass468.10
IUPAC NameN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3)nc2c1
InChIInChI=1S/C25H22Cl2N2O3/c1-4-14(2)16-7-10-22-21(13-16)29-25(32-22)15-5-8-18(9-6-15)28-24(30)17-11-19(26)23(31-3)20(27)12-17/h5-14H,4H2,1-3H3,(H,28,30)/t14-/m1/s1
InChIKeyGZBFIJBBCKJDBC-CQSZACIVSA-N
XLogP7.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide with MolForge

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Related Compounds

N-[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-2-methoxybenzamide
CID 28866108
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-methylbenzamide
CID 4633720
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 92847447
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 40862933
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chloro-4-methoxybenzamide
CID 27235945
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-hexoxybenzamide
CID 4633917
N-[[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 40573554
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
3,5-dibromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 4631567
N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 26020121
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524
3-bromo-N-[[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 124542227

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide (CID 26019347) is N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide is CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3)nc2c1.
What is the InChIKey of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
The InChIKey is GZBFIJBBCKJDBC-CQSZACIVSA-N. The full InChI is InChI=1S/C25H22Cl2N2O3/c1-4-14(2)16-7-10-22-21(13-16)29-25(32-22)15-5-8-18(9-6-15)28-24(30)17-11-19(26)23(31-3)20(27)12-17/h5-14H,4H2,1-3H3,(H,28,30)/t14-/m1/s1.
What are the key properties of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide?
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide has a molecular weight of 469.37 g/mol, XLogP of 7.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 26019347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).