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

C18H24N2O3 — CID 108784762

IUPACN-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOCCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H24N2O3/c1-13(2)14-4-6-15(7-5-14)16-12-20-18(23-16)9-8-17(21)19-10-11-22-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyQYUVPKZUZHJIJU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.16
Rot. Bonds8

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

N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784762) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108784762
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOCCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1
InChIInChI=1S/C18H24N2O3/c1-13(2)14-4-6-15(7-5-14)16-12-20-18(23-16)9-8-17(21)19-10-11-22-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,21)
InChIKeyQYUVPKZUZHJIJU-UHFFFAOYSA-N
XLogP3.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
N-[2-(2-methoxyethoxy)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86985390
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 108784772
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-(3,4-dimethylphenyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784923
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784762) is N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is COCCNC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is QYUVPKZUZHJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)14-4-6-15(7-5-14)16-12-20-18(23-16)9-8-17(21)19-10-11-22-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).