2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid

C16H15FN4O3 — CID 167751709

IUPAC2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1noc2ncnc(NCC(Cc3cccc(F)c3)C(=O)O)c12
InChIInChI=1S/C16H15FN4O3/c1-9-13-14(19-8-20-15(13)24-21-9)18-7-11(16(22)23)5-10-3-2-4-12(17)6-10/h2-4,6,8,11H,5,7H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyOZABFDNRNMNHAW-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.42
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid

2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 167751709) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID167751709
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESCc1noc2ncnc(NCC(Cc3cccc(F)c3)C(=O)O)c12
InChIInChI=1S/C16H15FN4O3/c1-9-13-14(19-8-20-15(13)24-21-9)18-7-11(16(22)23)5-10-3-2-4-12(17)6-10/h2-4,6,8,11H,5,7H2,1H3,(H,22,23)(H,18,19,20)
InChIKeyOZABFDNRNMNHAW-UHFFFAOYSA-N
XLogP2.42
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid with MolForge

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Related Compounds

N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 103153700
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
CID 100758402
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-2-thiophen-2-ylacetic acid
CID 115284503
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid (CID 167751709) is 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid is Cc1noc2ncnc(NCC(Cc3cccc(F)c3)C(=O)O)c12.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is OZABFDNRNMNHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-9-13-14(19-8-20-15(13)24-21-9)18-7-11(16(22)23)5-10-3-2-4-12(17)6-10/h2-4,6,8,11H,5,7H2,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid?
2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 330.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 167751709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).