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

C15H14N4O3 — CID 46257742

IUPAC2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid
SMILESCc1ccc(-c2noc3ncnc(N(C)CC(=O)O)c23)cc1
InChIInChI=1S/C15H14N4O3/c1-9-3-5-10(6-4-9)13-12-14(19(2)7-11(20)21)16-8-17-15(12)22-18-13/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyURJXTHALPHUCSL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.11
Rot. Bonds4

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

2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid (PubChem CID 46257742) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid
PubChem CID46257742
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid
SMILESCc1ccc(-c2noc3ncnc(N(C)CC(=O)O)c23)cc1
InChIInChI=1S/C15H14N4O3/c1-9-3-5-10(6-4-9)13-12-14(19(2)7-11(20)21)16-8-17-15(12)22-18-13/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyURJXTHALPHUCSL-UHFFFAOYSA-N
XLogP2.11
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid (CID 46257742) is 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid is Cc1ccc(-c2noc3ncnc(N(C)CC(=O)O)c23)cc1.
What is the InChIKey of 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid?
The InChIKey is URJXTHALPHUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-3-5-10(6-4-9)13-12-14(19(2)7-11(20)21)16-8-17-15(12)22-18-13/h3-6,8H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid?
2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid has a molecular weight of 298.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(4-methylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetic acid is sourced from PubChem (CID 46257742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).