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

C15H18N4O3 — CID 46321349

IUPACN-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide
SMILESCCc1nc(-c2ccc(NC(=O)N3CCOCC3)cc2)no1
InChIInChI=1S/C15H18N4O3/c1-2-13-17-14(18-22-13)11-3-5-12(6-4-11)16-15(20)19-7-9-21-10-8-19/h3-6H,2,7-10H2,1H3,(H,16,20)
InChIKeyWTGGCFJCJNFZHJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.16
Rot. Bonds3

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

N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide (PubChem CID 46321349) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide
PubChem CID46321349
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide
SMILESCCc1nc(-c2ccc(NC(=O)N3CCOCC3)cc2)no1
InChIInChI=1S/C15H18N4O3/c1-2-13-17-14(18-22-13)11-3-5-12(6-4-11)16-15(20)19-7-9-21-10-8-19/h3-6H,2,7-10H2,1H3,(H,16,20)
InChIKeyWTGGCFJCJNFZHJ-UHFFFAOYSA-N
XLogP2.16
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide (CID 46321349) is N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide is CCc1nc(-c2ccc(NC(=O)N3CCOCC3)cc2)no1.
What is the InChIKey of N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is WTGGCFJCJNFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-13-17-14(18-22-13)11-3-5-12(6-4-11)16-15(20)19-7-9-21-10-8-19/h3-6H,2,7-10H2,1H3,(H,16,20).
What are the key properties of N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide?
N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 46321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).