5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid

C11H9FN2O3 — CID 115059786

IUPAC5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESNCc1oc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H9FN2O3/c12-7-3-1-2-6(4-7)10-14-9(11(15)16)8(5-13)17-10/h1-4H,5,13H2,(H,15,16)
InChIKeyWPTZXNBJLGYRNP-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.64
Rot. Bonds3

About 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid

5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 115059786) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID115059786
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESNCc1oc(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H9FN2O3/c12-7-3-1-2-6(4-7)10-14-9(11(15)16)8(5-13)17-10/h1-4H,5,13H2,(H,15,16)
InChIKeyWPTZXNBJLGYRNP-UHFFFAOYSA-N
XLogP1.64
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 115059776
5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
2-(3-fluorophenyl)-1,3-benzoxazole-7-carboxylic acid;2-phenyl-1,3-benzoxazole-7-carboxylic acid
CID 158103086
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 166154785
3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
methyl 5-cyclopropyl-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 122476852
5-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 166307804
5-amino-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250700
2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
CID 43445116
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 84726572

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid (CID 115059786) is 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid is NCc1oc(-c2cccc(F)c2)nc1C(=O)O.
What is the InChIKey of 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WPTZXNBJLGYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-7-3-1-2-6(4-7)10-14-9(11(15)16)8(5-13)17-10/h1-4H,5,13H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid?
5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3-fluorophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115059786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).