N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C20H28FN3O2 — CID 18160896

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)N(CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(C)C
InChIInChI=1S/C20H28FN3O2/c1-14(2)24(15(3)4)12-11-22-19(25)9-10-20-23-13-18(26-20)16-5-7-17(21)8-6-16/h5-8,13-15H,9-12H2,1-4H3,(H,22,25)
InChIKeyQTCPTXSOMLEVPL-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.65
Rot. Bonds9

About N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 18160896) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID18160896
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)N(CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(C)C
InChIInChI=1S/C20H28FN3O2/c1-14(2)24(15(3)4)12-11-22-19(25)9-10-20-23-13-18(26-20)16-5-7-17(21)8-6-16/h5-8,13-15H,9-12H2,1-4H3,(H,22,25)
InChIKeyQTCPTXSOMLEVPL-UHFFFAOYSA-N
XLogP3.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 86848666
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30894313
N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55748394
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 33428902
N-[2-(2,4-dimethylphenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 48670903
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 43042083
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 18160896) is N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(C)N(CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is QTCPTXSOMLEVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14(2)24(15(3)4)12-11-22-19(25)9-10-20-23-13-18(26-20)16-5-7-17(21)8-6-16/h5-8,13-15H,9-12H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 18160896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).