N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C20H20N2O3 — CID 51934580

IUPACN-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O
InChIInChI=1S/C20H20N2O3/c1-14(16-9-5-6-10-17(16)23)22-19(24)11-12-20-21-13-18(25-20)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyCVIKDNMKPKLAGF-AWEZNQCLSA-N
MW336.39 g/mol
LogP3.86
Rot. Bonds6

About N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 51934580) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID51934580
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESC[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O
InChIInChI=1S/C20H20N2O3/c1-14(16-9-5-6-10-17(16)23)22-19(24)11-12-20-21-13-18(25-20)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyCVIKDNMKPKLAGF-AWEZNQCLSA-N
XLogP3.86
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51310753
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 134010985
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
N-[(1S)-1-(furan-2-yl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51908866
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 51934580) is N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccccc1O.
What is the InChIKey of N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is CVIKDNMKPKLAGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(16-9-5-6-10-17(16)23)22-19(24)11-12-20-21-13-18(25-20)15-7-3-2-4-8-15/h2-10,13-14,23H,11-12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 51934580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).