2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

C15H17N3O4 — CID 77492295

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESCC1CN(c2cc(-c3nc(C(=O)O)co3)ccn2)CC(C)O1
InChIInChI=1S/C15H17N3O4/c1-9-6-18(7-10(2)22-9)13-5-11(3-4-16-13)14-17-12(8-21-14)15(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyYJCUVDNXSUAJIB-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.05
Rot. Bonds3

About 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid

2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 77492295) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID77492295
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESCC1CN(c2cc(-c3nc(C(=O)O)co3)ccn2)CC(C)O1
InChIInChI=1S/C15H17N3O4/c1-9-6-18(7-10(2)22-9)13-5-11(3-4-16-13)14-17-12(8-21-14)15(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,19,20)
InChIKeyYJCUVDNXSUAJIB-UHFFFAOYSA-N
XLogP2.05
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 68377800
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CID 68377874
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CID 118060971
CID 118060971
CID 118061041
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CID 118061046
CID 118061046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 77492295) is 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is CC1CN(c2cc(-c3nc(C(=O)O)co3)ccn2)CC(C)O1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is YJCUVDNXSUAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-6-18(7-10(2)22-9)13-5-11(3-4-16-13)14-17-12(8-21-14)15(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid?
2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 77492295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).