N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide

C12H17N5O3 — CID 155948535

IUPACN-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(C3CCOCC3)nn2)=NO1
InChIInChI=1S/C12H17N5O3/c1-8-6-11(15-20-8)13-12(18)10-7-17(16-14-10)9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H,13,15,18)
InChIKeyKQMAEJAKXRTXJA-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.48
Rot. Bonds2

About N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide

N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide (PubChem CID 155948535) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide
PubChem CID155948535
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC NameN-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide
SMILESCC1CC(NC(=O)c2cn(C3CCOCC3)nn2)=NO1
InChIInChI=1S/C12H17N5O3/c1-8-6-11(15-20-8)13-12(18)10-7-17(16-14-10)9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H,13,15,18)
InChIKeyKQMAEJAKXRTXJA-UHFFFAOYSA-N
XLogP0.48
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide?
The IUPAC name of N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide (CID 155948535) is N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide is CC1CC(NC(=O)c2cn(C3CCOCC3)nn2)=NO1.
What is the InChIKey of N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide?
The InChIKey is KQMAEJAKXRTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-6-11(15-20-8)13-12(18)10-7-17(16-14-10)9-2-4-19-5-3-9/h7-9H,2-6H2,1H3,(H,13,15,18).
What are the key properties of N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide?
N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-1-(oxan-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 155948535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).