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

C14H17N7O3 — CID 75390634

IUPAC5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CC(C)C)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C14H17N7O3/c1-7(2)4-9(18-13(22)10-8(3)23-6-16-10)14-19-12(21-24-14)11-15-5-17-20-11/h5-7,9H,4H2,1-3H3,(H,18,22)(H,15,17,20)
InChIKeyZZKKPVWAJOGGSM-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.67
Rot. Bonds6

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

5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide (PubChem CID 75390634) has the molecular formula C14H17N7O3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide
PubChem CID75390634
Molecular FormulaC14H17N7O3
Molecular Weight331.34 g/mol
Exact Mass331.14
IUPAC Name5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CC(C)C)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C14H17N7O3/c1-7(2)4-9(18-13(22)10-8(3)23-6-16-10)14-19-12(21-24-14)11-15-5-17-20-11/h5-7,9H,4H2,1-3H3,(H,18,22)(H,15,17,20)
InChIKeyZZKKPVWAJOGGSM-UHFFFAOYSA-N
XLogP1.67
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide (CID 75390634) is 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC(CC(C)C)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZZKKPVWAJOGGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3/c1-7(2)4-9(18-13(22)10-8(3)23-6-16-10)14-19-12(21-24-14)11-15-5-17-20-11/h5-7,9H,4H2,1-3H3,(H,18,22)(H,15,17,20).
What are the key properties of 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).