N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

C16H21FN2O2 — CID 102885570

IUPACN-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2cnc(CCNC(C)(C)C)o2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-6-5-11(20-4)9-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyJLSNDUCWKRMZLA-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.42
Rot. Bonds5

About N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 102885570) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID102885570
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2cnc(CCNC(C)(C)C)o2)c(F)c1
InChIInChI=1S/C16H21FN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-6-5-11(20-4)9-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3
InChIKeyJLSNDUCWKRMZLA-UHFFFAOYSA-N
XLogP3.42
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
2-methyl-N-[2-[5-(2-methylsulfanylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 79206242
N-[[5-(4-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65184324
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 102885537
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107984140

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 102885570) is N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is COc1ccc(-c2cnc(CCNC(C)(C)C)o2)c(F)c1.
What is the InChIKey of N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is JLSNDUCWKRMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(2,3)19-8-7-15-18-10-14(21-15)12-6-5-11(20-4)9-13(12)17/h5-6,9-10,19H,7-8H2,1-4H3.
What are the key properties of N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 292.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102885570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).