N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide

C12H15N5O3 — CID 126425251

IUPACN-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCc1noc([C@H](C)NC(=O)c2cnc(OC)nc2)n1
InChIInChI=1S/C12H15N5O3/c1-4-9-16-11(20-17-9)7(2)15-10(18)8-5-13-12(19-3)14-6-8/h5-7H,4H2,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyCZIKITWHCJUWRP-ZETCQYMHSA-N
MW277.28 g/mol
LogP0.92
Rot. Bonds5

About N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide

N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 126425251) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID126425251
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCc1noc([C@H](C)NC(=O)c2cnc(OC)nc2)n1
InChIInChI=1S/C12H15N5O3/c1-4-9-16-11(20-17-9)7(2)15-10(18)8-5-13-12(19-3)14-6-8/h5-7H,4H2,1-3H3,(H,15,18)/t7-/m0/s1
InChIKeyCZIKITWHCJUWRP-ZETCQYMHSA-N
XLogP0.92
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (CID 126425251) is N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is CCc1noc([C@H](C)NC(=O)c2cnc(OC)nc2)n1.
What is the InChIKey of N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is CZIKITWHCJUWRP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-9-16-11(20-17-9)7(2)15-10(18)8-5-13-12(19-3)14-6-8/h5-7H,4H2,1-3H3,(H,15,18)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 126425251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).