2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C20H15N5O3 — CID 70716417

IUPAC2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C20H15N5O3/c26-19(27)14-6-8-21-17(10-14)16-7-9-22-20(25-16)23-11-15-12-28-18(24-15)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,27)(H,22,23,25)
InChIKeyORXINLDTNOPYGN-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70716417) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70716417
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C20H15N5O3/c26-19(27)14-6-8-21-17(10-14)16-7-9-22-20(25-16)23-11-15-12-28-18(24-15)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,27)(H,22,23,25)
InChIKeyORXINLDTNOPYGN-UHFFFAOYSA-N
XLogP3.50
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-phenyl-1,3-oxazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 146132693
2-[2-[2-(pyridin-3-ylamino)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70770241
2-[2-[2-(5-methylfuran-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70743386
2-[2-[[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95868518
2-[2-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70748491
2-[2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 95866917
2-[2-[2-(dimethylsulfamoyl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70742287
2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70741018
2-[2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70739740
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610
[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
CID 84595089

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70716417) is 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(NCc3coc(-c4ccccc4)n3)n2)c1.
What is the InChIKey of 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ORXINLDTNOPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-19(27)14-6-8-21-17(10-14)16-7-9-22-20(25-16)23-11-15-12-28-18(24-15)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,27)(H,22,23,25).
What are the key properties of 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 373.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70716417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).