2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid

C15H17FN2O3 — CID 134708356

IUPAC2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCCN(Cc1nc(C(=O)O)co1)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O3/c1-2-7-18(8-11-5-3-4-6-12(11)16)9-14-17-13(10-21-14)15(19)20/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyBWWHFEDQCNAGKB-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.92
Rot. Bonds7

About 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134708356) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID134708356
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCCN(Cc1nc(C(=O)O)co1)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O3/c1-2-7-18(8-11-5-3-4-6-12(11)16)9-14-17-13(10-21-14)15(19)20/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyBWWHFEDQCNAGKB-UHFFFAOYSA-N
XLogP2.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[benzyl-[(3-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42681143
N-ethyl-2-[[(2-fluorophenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 93155452
2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833757
2-[[(2-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833048
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[[(2,4-dimethylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 42829523
N-ethyl-N-methyl-2-[[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834782
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 130727392
N-[(2R)-butan-2-yl]-2-[[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156801
ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid
CID 143614470

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid (CID 134708356) is 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid is CCCN(Cc1nc(C(=O)O)co1)Cc1ccccc1F.
What is the InChIKey of 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is BWWHFEDQCNAGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-7-18(8-11-5-3-4-6-12(11)16)9-14-17-13(10-21-14)15(19)20/h3-6,10H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)methyl-propylamino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134708356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).