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

C12H15N5O3 — CID 119059740

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCc1noc(C(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)
InChIKeyCZIKITWHCJUWRP-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.92
Rot. Bonds5

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 119059740) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID119059740
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCc1noc(C(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)
InChIKeyCZIKITWHCJUWRP-UHFFFAOYSA-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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Related Compounds

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56743859
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 50957545
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
methyl 3-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoate
CID 162468885
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94809095
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
CID 56880963
methyl 2-[3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetate
CID 99836598
N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3,6-dimethyl-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 95229601
N-[(1S)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-thiophen-2-ylbenzamide
CID 126433153
2-methoxy-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidine-5-carboxamide
CID 126444842
2-(dimethylcarbamoylamino)-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 118766115
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (CID 119059740) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is CCc1noc(C(C)NC(=O)c2cnc(OC)nc2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is CZIKITWHCJUWRP-UHFFFAOYSA-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).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[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-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 119059740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).