N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

C23H25ClN2O3 — CID 108784946

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C23H25ClN2O3/c1-14(2)16-5-7-17(8-6-16)21-13-25-23(29-21)10-9-22(27)26-19-11-15(3)18(24)12-20(19)28-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,27)
InChIKeyHUYBYEFISYBEDH-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.01
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784946) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108784946
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C23H25ClN2O3/c1-14(2)16-5-7-17(8-6-16)21-13-25-23(29-21)10-9-22(27)26-19-11-15(3)18(24)12-20(19)28-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,27)
InChIKeyHUYBYEFISYBEDH-UHFFFAOYSA-N
XLogP6.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333731
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 108798031
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51309889
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165
5-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]benzene-1,3-dicarboxylic acid
CID 108784921
N-(2-cyanophenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784752
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
N-(2-methoxy-5-nitrophenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51314321
ethyl 2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]pyridine-4-carboxylate
CID 108809126

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784946) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is HUYBYEFISYBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-14(2)16-5-7-17(8-6-16)21-13-25-23(29-21)10-9-22(27)26-19-11-15(3)18(24)12-20(19)28-4/h5-8,11-14H,9-10H2,1-4H3,(H,26,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 412.92 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).