N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

C16H20ClN3O2 — CID 119995343

IUPACN-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CN)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H20ClN3O2/c1-11(8-18)9-19-15(21)6-7-16-20-10-14(22-16)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9,18H2,1H3,(H,19,21)
InChIKeyUPVIOZFBZAXZAA-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.64
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 119995343) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID119995343
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(CN)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H20ClN3O2/c1-11(8-18)9-19-15(21)6-7-16-20-10-14(22-16)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9,18H2,1H3,(H,19,21)
InChIKeyUPVIOZFBZAXZAA-UHFFFAOYSA-N
XLogP2.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269
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-(4-methylphenyl)propanamide
CID 16590390
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
CID 119253516
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30894313

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 119995343) is N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is CC(CN)CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is UPVIOZFBZAXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(8-18)9-19-15(21)6-7-16-20-10-14(22-16)12-2-4-13(17)5-3-12/h2-5,10-11H,6-9,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 321.81 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 119995343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).