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

C15H19N7O3 — CID 97330163

IUPAC2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H](CC(C)C)c2nc(-c3ncn[nH]3)no2)o1
InChIInChI=1S/C15H19N7O3/c1-7(2)5-10(19-14(23)11-8(3)18-9(4)24-11)15-20-13(22-25-15)12-16-6-17-21-12/h6-7,10H,5H2,1-4H3,(H,19,23)(H,16,17,21)/t10-/m0/s1
InChIKeyRLYZSJWRDHGSKC-JTQLQIEISA-N
MW345.36 g/mol
LogP1.98
Rot. Bonds6

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

2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide (PubChem CID 97330163) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide
PubChem CID97330163
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H](CC(C)C)c2nc(-c3ncn[nH]3)no2)o1
InChIInChI=1S/C15H19N7O3/c1-7(2)5-10(19-14(23)11-8(3)18-9(4)24-11)15-20-13(22-25-15)12-16-6-17-21-12/h6-7,10H,5H2,1-4H3,(H,19,23)(H,16,17,21)/t10-/m0/s1
InChIKeyRLYZSJWRDHGSKC-JTQLQIEISA-N
XLogP1.98
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide (CID 97330163) is 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H](CC(C)C)c2nc(-c3ncn[nH]3)no2)o1.
What is the InChIKey of 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide?
The InChIKey is RLYZSJWRDHGSKC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N7O3/c1-7(2)5-10(19-14(23)11-8(3)18-9(4)24-11)15-20-13(22-25-15)12-16-6-17-21-12/h6-7,10H,5H2,1-4H3,(H,19,23)(H,16,17,21)/t10-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1S)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 97330163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).