N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide

C9H10N4O2 — CID 140574577

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC=NC2)on1
InChIInChI=1S/C9H10N4O2/c1-7-5-8(15-12-7)11-9(14)13-4-2-3-10-6-13/h2-5H,6H2,1H3,(H,11,14)
InChIKeySNHQBDBSRFPHTN-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.37
Rot. Bonds1

About N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide

N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide (PubChem CID 140574577) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide
PubChem CID140574577
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC=NC2)on1
InChIInChI=1S/C9H10N4O2/c1-7-5-8(15-12-7)11-9(14)13-4-2-3-10-6-13/h2-5H,6H2,1H3,(H,11,14)
InChIKeySNHQBDBSRFPHTN-UHFFFAOYSA-N
XLogP1.37
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide (CID 140574577) is N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide is Cc1cc(NC(=O)N2C=CC=NC2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide?
The InChIKey is SNHQBDBSRFPHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-7-5-8(15-12-7)11-9(14)13-4-2-3-10-6-13/h2-5H,6H2,1H3,(H,11,14).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide?
N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide has a molecular weight of 206.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).