(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine

C14H19N3O4S — CID 95717272

IUPAC(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N)CC1
InChIInChI=1S/C14H19N3O4S/c1-10-14(9-13(20-10)12-4-6-16-21-12)22(18,19)17-7-2-3-11(15)5-8-17/h4,6,9,11H,2-3,5,7-8,15H2,1H3/t11-/m1/s1
InChIKeyRKISRDJOJWTBEX-LLVKDONJSA-N
MW325.39 g/mol
LogP1.74
Rot. Bonds3

About (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine

(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine (PubChem CID 95717272) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine.

Molecular Properties

Compound Name(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine
PubChem CID95717272
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N)CC1
InChIInChI=1S/C14H19N3O4S/c1-10-14(9-13(20-10)12-4-6-16-21-12)22(18,19)17-7-2-3-11(15)5-8-17/h4,6,9,11H,2-3,5,7-8,15H2,1H3/t11-/m1/s1
InChIKeyRKISRDJOJWTBEX-LLVKDONJSA-N
XLogP1.74
TPSA102.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine?
The IUPAC name of (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine (CID 95717272) is (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine.
What is the SMILES notation for (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine?
The canonical SMILES for (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine is Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N)CC1.
What is the InChIKey of (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine?
The InChIKey is RKISRDJOJWTBEX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-14(9-13(20-10)12-4-6-16-21-12)22(18,19)17-7-2-3-11(15)5-8-17/h4,6,9,11H,2-3,5,7-8,15H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine?
(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine has a molecular weight of 325.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine is sourced from PubChem (CID 95717272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).