N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide

C13H17N5O2 — CID 118785967

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(C(C)(C)C)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-8-14-5-9(6-15-8)11(19)16-7-10-17-12(18-20-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,16,19)
InChIKeyWHLPAFKQNVSBNI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds3

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 118785967) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide
PubChem CID118785967
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(C(C)(C)C)no2)cn1
InChIInChI=1S/C13H17N5O2/c1-8-14-5-9(6-15-8)11(19)16-7-10-17-12(18-20-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,16,19)
InChIKeyWHLPAFKQNVSBNI-UHFFFAOYSA-N
XLogP1.40
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide (CID 118785967) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2nc(C(C)(C)C)no2)cn1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is WHLPAFKQNVSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-14-5-9(6-15-8)11(19)16-7-10-17-12(18-20-10)13(2,3)4/h5-6H,7H2,1-4H3,(H,16,19).
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 118785967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).