methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate

C15H17FN2O3 — CID 62012661

IUPACmethyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O3/c1-18(8-7-15(19)20-2)10-14-17-9-13(21-14)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFPNKJHBCVNMDQB-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.48
Rot. Bonds6

About methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate

methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate (PubChem CID 62012661) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
PubChem CID62012661
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Namemethyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H17FN2O3/c1-18(8-7-15(19)20-2)10-14-17-9-13(21-14)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3
InChIKeyFPNKJHBCVNMDQB-UHFFFAOYSA-N
XLogP2.48
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276
3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016142
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18145565
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
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
methyl 2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetate
CID 60670524

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate (CID 62012661) is methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate is COC(=O)CCN(C)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate?
The InChIKey is FPNKJHBCVNMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-18(8-7-15(19)20-2)10-14-17-9-13(21-14)11-3-5-12(16)6-4-11/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate?
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate has a molecular weight of 292.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate is sourced from PubChem (CID 62012661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).