3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide

C13H18N4O2 — CID 99974460

IUPAC3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)noc1C)c1ncc(C)[nH]1
InChIInChI=1S/C13H18N4O2/c1-5-10(12-14-6-7(2)15-12)16-13(18)11-8(3)17-19-9(11)4/h6,10H,5H2,1-4H3,(H,14,15)(H,16,18)/t10-/m0/s1
InChIKeyRLYKPMPCTKCPCG-JTQLQIEISA-N
MW262.31 g/mol
LogP2.20
Rot. Bonds4

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

3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide (PubChem CID 99974460) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
PubChem CID99974460
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)noc1C)c1ncc(C)[nH]1
InChIInChI=1S/C13H18N4O2/c1-5-10(12-14-6-7(2)15-12)16-13(18)11-8(3)17-19-9(11)4/h6,10H,5H2,1-4H3,(H,14,15)(H,16,18)/t10-/m0/s1
InChIKeyRLYKPMPCTKCPCG-JTQLQIEISA-N
XLogP2.20
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide (CID 99974460) is 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide is CC[C@H](NC(=O)c1c(C)noc1C)c1ncc(C)[nH]1.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide?
The InChIKey is RLYKPMPCTKCPCG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2/c1-5-10(12-14-6-7(2)15-12)16-13(18)11-8(3)17-19-9(11)4/h6,10H,5H2,1-4H3,(H,14,15)(H,16,18)/t10-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).