1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide

C11H17N3O2S — CID 106925119

IUPAC1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCc1coc(SC2CCCC(N)(C(N)=O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-7-6-16-10(14-7)17-8-3-2-4-11(13,5-8)9(12)15/h6,8H,2-5,13H2,1H3,(H2,12,15)
InChIKeyRGNFZQUBLPOMSU-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.20
Rot. Bonds3

About 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide

1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (PubChem CID 106925119) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
PubChem CID106925119
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCc1coc(SC2CCCC(N)(C(N)=O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-7-6-16-10(14-7)17-8-3-2-4-11(13,5-8)9(12)15/h6,8H,2-5,13H2,1H3,(H2,12,15)
InChIKeyRGNFZQUBLPOMSU-UHFFFAOYSA-N
XLogP1.20
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (CID 106925119) is 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is Cc1coc(SC2CCCC(N)(C(N)=O)C2)n1.
What is the InChIKey of 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The InChIKey is RGNFZQUBLPOMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-6-16-10(14-7)17-8-3-2-4-11(13,5-8)9(12)15/h6,8H,2-5,13H2,1H3,(H2,12,15).
What are the key properties of 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106925119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).