3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide

C20H19ClN2O4 — CID 55638461

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1O
InChIInChI=1S/C20H19ClN2O4/c1-26-17-10-13(2-7-16(17)24)11-22-19(25)8-9-20-23-12-18(27-20)14-3-5-15(21)6-4-14/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25)
InChIKeyDUJYGPCITCZIBW-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.96
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide (PubChem CID 55638461) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
PubChem CID55638461
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1O
InChIInChI=1S/C20H19ClN2O4/c1-26-17-10-13(2-7-16(17)24)11-22-19(25)8-9-20-23-12-18(27-20)14-3-5-15(21)6-4-14/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25)
InChIKeyDUJYGPCITCZIBW-UHFFFAOYSA-N
XLogP3.96
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 46446935
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]propanamide
CID 60585877
N-[(4-chlorophenyl)methyl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590238
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]propanamide
CID 46474233
N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 16601221
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide (CID 55638461) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)ccc1O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The InChIKey is DUJYGPCITCZIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-26-17-10-13(2-7-16(17)24)11-22-19(25)8-9-20-23-12-18(27-20)14-3-5-15(21)6-4-14/h2-7,10,12,24H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide has a molecular weight of 386.84 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55638461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).