2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide

C14H19N5O3 — CID 129326419

IUPAC2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2cnc(C)[nH]2)C2CCOCC2)n1
InChIInChI=1S/C14H19N5O3/c1-8-15-7-11(16-8)13(20)18-12(10-3-5-21-6-4-10)14-17-9(2)19-22-14/h7,10,12H,3-6H2,1-2H3,(H,15,16)(H,18,20)/t12-/m0/s1
InChIKeyJTOSANIYNAEJLB-LBPRGKRZSA-N
MW305.34 g/mol
LogP1.31
Rot. Bonds4

About 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide

2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 129326419) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
PubChem CID129326419
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2cnc(C)[nH]2)C2CCOCC2)n1
InChIInChI=1S/C14H19N5O3/c1-8-15-7-11(16-8)13(20)18-12(10-3-5-21-6-4-10)14-17-9(2)19-22-14/h7,10,12H,3-6H2,1-2H3,(H,15,16)(H,18,20)/t12-/m0/s1
InChIKeyJTOSANIYNAEJLB-LBPRGKRZSA-N
XLogP1.31
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide (CID 129326419) is 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide is Cc1noc([C@@H](NC(=O)c2cnc(C)[nH]2)C2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is JTOSANIYNAEJLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8-15-7-11(16-8)13(20)18-12(10-3-5-21-6-4-10)14-17-9(2)19-22-14/h7,10,12H,3-6H2,1-2H3,(H,15,16)(H,18,20)/t12-/m0/s1.
What are the key properties of 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide?
2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 129326419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).