N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine

C10H18N2OS — CID 106925866

IUPACN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
SMILESCCCCNCCSc1nc(C)co1
InChIInChI=1S/C10H18N2OS/c1-3-4-5-11-6-7-14-10-12-9(2)8-13-10/h8,11H,3-7H2,1-2H3
InChIKeyHMAUNDIBHAUPTC-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.46
Rot. Bonds7

About N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine

N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine (PubChem CID 106925866) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
PubChem CID106925866
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
SMILESCCCCNCCSc1nc(C)co1
InChIInChI=1S/C10H18N2OS/c1-3-4-5-11-6-7-14-10-12-9(2)8-13-10/h8,11H,3-7H2,1-2H3
InChIKeyHMAUNDIBHAUPTC-UHFFFAOYSA-N
XLogP2.46
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine?
The IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine (CID 106925866) is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine.
What is the SMILES notation for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine?
The canonical SMILES for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine is CCCCNCCSc1nc(C)co1.
What is the InChIKey of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine?
The InChIKey is HMAUNDIBHAUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-3-4-5-11-6-7-14-10-12-9(2)8-13-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine?
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine is sourced from PubChem (CID 106925866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).