N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C11H16N6O3 — CID 136715375

IUPACN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESC[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H16N6O3/c1-5(8-14-9(17-20-8)11(2,3)4)12-7(18)6-13-10(19)16-15-6/h5H,1-4H3,(H,12,18)(H2,13,15,16,19)/t5-/m0/s1
InChIKeyLNXJJDSQNAIIFQ-YFKPBYRVSA-N
MW280.29 g/mol
LogP0.27
Rot. Bonds3

About N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136715375) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136715375
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC NameN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESC[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H16N6O3/c1-5(8-14-9(17-20-8)11(2,3)4)12-7(18)6-13-10(19)16-15-6/h5H,1-4H3,(H,12,18)(H2,13,15,16,19)/t5-/m0/s1
InChIKeyLNXJJDSQNAIIFQ-YFKPBYRVSA-N
XLogP0.27
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136715375) is N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is LNXJJDSQNAIIFQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-5(8-14-9(17-20-8)11(2,3)4)12-7(18)6-13-10(19)16-15-6/h5H,1-4H3,(H,12,18)(H2,13,15,16,19)/t5-/m0/s1.
What are the key properties of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136715375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).