(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide

C14H16N6O2 — CID 124757478

IUPAC(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@@](C)(C(=O)NCc2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C14H16N6O2/c1-9-7-14(2,22-20-9)13(21)16-8-11-17-12(19-18-11)10-3-5-15-6-4-10/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,18,19)/t14-/m1/s1
InChIKeyWLGXULLRDAELSI-CQSZACIVSA-N
MW300.32 g/mol
LogP1.04
Rot. Bonds4

About (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide

(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide (PubChem CID 124757478) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide
PubChem CID124757478
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@@](C)(C(=O)NCc2nc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C14H16N6O2/c1-9-7-14(2,22-20-9)13(21)16-8-11-17-12(19-18-11)10-3-5-15-6-4-10/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,18,19)/t14-/m1/s1
InChIKeyWLGXULLRDAELSI-CQSZACIVSA-N
XLogP1.04
TPSA105.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide (CID 124757478) is (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide is CC1=NO[C@@](C)(C(=O)NCc2nc(-c3ccncc3)n[nH]2)C1.
What is the InChIKey of (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
The InChIKey is WLGXULLRDAELSI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-9-7-14(2,22-20-9)13(21)16-8-11-17-12(19-18-11)10-3-5-15-6-4-10/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,18,19)/t14-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide?
(5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124757478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).