2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide

C16H23N5O4S — CID 51348409

IUPAC2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCCCC3)n[nH]2)no1
InChIInChI=1S/C16H23N5O4S/c1-10-9-12(21-25-10)13-17-15(20-19-13)18-14(22)16(2,3)26(23,24)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyAVOOJLBSBKSKBX-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide

2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 51348409) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID51348409
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCCCC3)n[nH]2)no1
InChIInChI=1S/C16H23N5O4S/c1-10-9-12(21-25-10)13-17-15(20-19-13)18-14(22)16(2,3)26(23,24)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyAVOOJLBSBKSKBX-UHFFFAOYSA-N
XLogP2.23
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide (CID 51348409) is 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1cc(-c2nc(NC(=O)C(C)(C)S(=O)(=O)C3CCCCC3)n[nH]2)no1.
What is the InChIKey of 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is AVOOJLBSBKSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-10-9-12(21-25-10)13-17-15(20-19-13)18-14(22)16(2,3)26(23,24)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3,(H2,17,18,19,20,22).
What are the key properties of 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide?
2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 381.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 51348409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).