6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C9H8N4O3 — CID 91628542

IUPAC6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccon2)ncn1
InChIInChI=1S/C9H8N4O3/c1-15-8-4-6(10-5-11-8)9(14)12-7-2-3-16-13-7/h2-5H,1H3,(H,12,13,14)
InChIKeyKSYFWIYGIFRNMI-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.73
Rot. Bonds3

About 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 91628542) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID91628542
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccon2)ncn1
InChIInChI=1S/C9H8N4O3/c1-15-8-4-6(10-5-11-8)9(14)12-7-2-3-16-13-7/h2-5H,1H3,(H,12,13,14)
InChIKeyKSYFWIYGIFRNMI-UHFFFAOYSA-N
XLogP0.73
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 91628542) is 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ccon2)ncn1.
What is the InChIKey of 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is KSYFWIYGIFRNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-15-8-4-6(10-5-11-8)9(14)12-7-2-3-16-13-7/h2-5H,1H3,(H,12,13,14).
What are the key properties of 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 220.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).