5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide

C14H16N4O3 — CID 138024785

IUPAC5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ncccn3)CCOCC2)no1
InChIInChI=1S/C14H16N4O3/c1-10-9-11(18-21-10)12(19)17-14(3-7-20-8-4-14)13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyYCUFCYMSUBLZDD-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.21
Rot. Bonds3

About 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 138024785) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID138024785
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(c3ncccn3)CCOCC2)no1
InChIInChI=1S/C14H16N4O3/c1-10-9-11(18-21-10)12(19)17-14(3-7-20-8-4-14)13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19)
InChIKeyYCUFCYMSUBLZDD-UHFFFAOYSA-N
XLogP1.21
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide (CID 138024785) is 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)no1.
What is the InChIKey of 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YCUFCYMSUBLZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-9-11(18-21-10)12(19)17-14(3-7-20-8-4-14)13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138024785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).