N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C16H25N5O2 — CID 97127217

IUPACN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)on1
InChIInChI=1S/C16H25N5O2/c1-10(2)6-12-8-14(23-20-12)16(22)19-13(7-11(3)4)15-17-9-18-21(15)5/h8-11,13H,6-7H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyRIVBPQMUYDZDAG-CYBMUJFWSA-N
MW319.41 g/mol
LogP2.52
Rot. Bonds7

About N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 97127217) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID97127217
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)on1
InChIInChI=1S/C16H25N5O2/c1-10(2)6-12-8-14(23-20-12)16(22)19-13(7-11(3)4)15-17-9-18-21(15)5/h8-11,13H,6-7H2,1-5H3,(H,19,22)/t13-/m1/s1
InChIKeyRIVBPQMUYDZDAG-CYBMUJFWSA-N
XLogP2.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 97127217) is N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N[C@H](CC(C)C)c2ncnn2C)on1.
What is the InChIKey of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RIVBPQMUYDZDAG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10(2)6-12-8-14(23-20-12)16(22)19-13(7-11(3)4)15-17-9-18-21(15)5/h8-11,13H,6-7H2,1-5H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).