N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine

C10H18N2OS — CID 106925767

IUPACN-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Sc1ncco1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)12-7-9(3)14-10-11-5-6-13-10/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeySCCJCFWKTILWAT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine

N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine (PubChem CID 106925767) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine
PubChem CID106925767
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine
SMILESCCC(C)NCC(C)Sc1ncco1
InChIInChI=1S/C10H18N2OS/c1-4-8(2)12-7-9(3)14-10-11-5-6-13-10/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeySCCJCFWKTILWAT-UHFFFAOYSA-N
XLogP2.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925805
N-(furan-2-ylmethyl)-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106925818
2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
CID 106923813
2-methyl-3-(1,3-oxazol-2-ylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106924241
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
2-(2-methylpropylsulfanyl)-1,3-oxazole
CID 59202102
N-methyl-4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927457
1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106927220
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
N-[2-(2,4-difluorophenyl)sulfanylpropyl]butan-2-amine
CID 55092288
(2R)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635419
(2S)-N-cyclohexyl-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)propanamide
CID 100635405

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine?
The IUPAC name of N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine (CID 106925767) is N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine?
The canonical SMILES for N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine is CCC(C)NCC(C)Sc1ncco1.
What is the InChIKey of N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine?
The InChIKey is SCCJCFWKTILWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-8(2)12-7-9(3)14-10-11-5-6-13-10/h5-6,8-9,12H,4,7H2,1-3H3.
What are the key properties of N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine?
N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-2-ylsulfanyl)propyl]butan-2-amine is sourced from PubChem (CID 106925767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).