N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide

C21H22N2O3 — CID 90177469

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
SMILESCOc1cc(NC(=O)CC(C)(C)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C21H22N2O3/c1-21(2,15-7-5-4-6-8-15)12-20(24)23-16-9-10-17(18(11-16)25-3)19-13-22-14-26-19/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyCFZRKBIGSLPNSX-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.66
Rot. Bonds6

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide (PubChem CID 90177469) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
PubChem CID90177469
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
SMILESCOc1cc(NC(=O)CC(C)(C)c2ccccc2)ccc1-c1cnco1
InChIInChI=1S/C21H22N2O3/c1-21(2,15-7-5-4-6-8-15)12-20(24)23-16-9-10-17(18(11-16)25-3)19-13-22-14-26-19/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyCFZRKBIGSLPNSX-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N'-[1-[4-(3,3-dimethylbutanoylamino)phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766676
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
CID 20766427
2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177366
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
3-hydroxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]naphthalene-2-carboxamide
CID 20604821
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[4-(3-methoxyphenoxy)-2-methylbutan-2-yl]oxamide
CID 20766863
3-hydroxy-N-[4-(1,3-oxazol-5-yl)phenyl]-3-phenylbutanamide
CID 90178107
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
N'-[3-(aminomethyl)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide;2,2,2-trifluoroacetic acid
CID 22558403

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide (CID 90177469) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide is COc1cc(NC(=O)CC(C)(C)c2ccccc2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide?
The InChIKey is CFZRKBIGSLPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(2,15-7-5-4-6-8-15)12-20(24)23-16-9-10-17(18(11-16)25-3)19-13-22-14-26-19/h4-11,13-14H,12H2,1-3H3,(H,23,24).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide has a molecular weight of 350.42 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 90177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).