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

C12H16N6O3 — CID 24738646

IUPAC5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(N2CCOCC2)on1
InChIInChI=1S/C12H16N6O3/c19-12(14-1-2-18-9-13-8-15-18)10-7-11(21-16-10)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,14,19)
InChIKeyQLXBXDFHTXYACL-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.47
Rot. Bonds5

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

5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24738646) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24738646
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(N2CCOCC2)on1
InChIInChI=1S/C12H16N6O3/c19-12(14-1-2-18-9-13-8-15-18)10-7-11(21-16-10)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,14,19)
InChIKeyQLXBXDFHTXYACL-UHFFFAOYSA-N
XLogP-0.47
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 136666425
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(furan-3-yl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 25164314
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816437
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
N-[1-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2-oxazole-3-carboxamide
CID 133149986
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
1-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 91779228
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24738646) is 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1cncn1)c1cc(N2CCOCC2)on1.
What is the InChIKey of 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QLXBXDFHTXYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c19-12(14-1-2-18-9-13-8-15-18)10-7-11(21-16-10)17-3-5-20-6-4-17/h7-9H,1-6H2,(H,14,19).
What are the key properties of 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).