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

C14H20N4O3 — CID 50957545

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCc1noc(C(C)NC(=O)c2cc(CC(C)C)on2)n1
InChIInChI=1S/C14H20N4O3/c1-5-12-16-14(21-18-12)9(4)15-13(19)11-7-10(20-17-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,15,19)
InChIKeyPVFZLIQMTAMQNH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.31
Rot. Bonds6

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

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 50957545) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID50957545
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCCc1noc(C(C)NC(=O)c2cc(CC(C)C)on2)n1
InChIInChI=1S/C14H20N4O3/c1-5-12-16-14(21-18-12)9(4)15-13(19)11-7-10(20-17-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,15,19)
InChIKeyPVFZLIQMTAMQNH-UHFFFAOYSA-N
XLogP2.31
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 50957545) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CCc1noc(C(C)NC(=O)c2cc(CC(C)C)on2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PVFZLIQMTAMQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-5-12-16-14(21-18-12)9(4)15-13(19)11-7-10(20-17-11)6-8(2)3/h7-9H,5-6H2,1-4H3,(H,15,19).
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50957545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).