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

C7H12N2OS — CID 106927407

IUPAC4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSc1ncco1
InChIInChI=1S/C7H12N2OS/c1-6(8)2-5-11-7-9-3-4-10-7/h3-4,6H,2,5,8H2,1H3
InChIKeyZWHSHIRMDOEHLQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.50
Rot. Bonds4

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

4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (PubChem CID 106927407) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
PubChem CID106927407
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
SMILESCC(N)CCSc1ncco1
InChIInChI=1S/C7H12N2OS/c1-6(8)2-5-11-7-9-3-4-10-7/h3-4,6H,2,5,8H2,1H3
InChIKeyZWHSHIRMDOEHLQ-UHFFFAOYSA-N
XLogP1.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927457
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
ethyl 2-(ethylamino)-4-(1,3-oxazol-2-ylsulfanyl)butanoate
CID 106925058
2-(3-chloropropylsulfanyl)-1,3-oxazole
CID 106920963
4-(1,3-oxazol-2-ylsulfanyl)butan-2-one
CID 106923954
3-(1,3-oxazol-2-ylsulfanyl)propanenitrile
CID 106922507
4-(1,3-oxazol-2-ylsulfanyl)butan-1-ol
CID 106923563
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanoic acid
CID 106920713
2-amino-3-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 106920732
2-(5-bromopentylsulfanyl)-1,3-oxazole
CID 106920965
N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 106925756
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106924241

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine (CID 106927407) is 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is CC(N)CCSc1ncco1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
The InChIKey is ZWHSHIRMDOEHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6(8)2-5-11-7-9-3-4-10-7/h3-4,6H,2,5,8H2,1H3.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine?
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 106927407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).