N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine

C8H14N2OS — CID 106927457

IUPACN-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCNC(C)CCSc1ncco1
InChIInChI=1S/C8H14N2OS/c1-7(9-2)3-6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeySOKINNXHKPPBKF-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.76
Rot. Bonds5

About N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine

N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (PubChem CID 106927457) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
PubChem CID106927457
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCNC(C)CCSc1ncco1
InChIInChI=1S/C8H14N2OS/c1-7(9-2)3-6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3
InChIKeySOKINNXHKPPBKF-UHFFFAOYSA-N
XLogP1.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (CID 106927457) is N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is CNC(C)CCSc1ncco1.
What is the InChIKey of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is SOKINNXHKPPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(9-2)3-6-12-8-10-4-5-11-8/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 186.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 106927457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).