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

C13H22N2O2S — CID 106927754

IUPACN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1nc(C)co1)C1CCOC1
InChIInChI=1S/C13H22N2O2S/c1-3-5-14-12(11-4-6-16-8-11)9-18-13-15-10(2)7-17-13/h7,11-12,14H,3-6,8-9H2,1-2H3
InChIKeyUYSJQMXONZXJSV-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.48
Rot. Bonds7

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

N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 106927754) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID106927754
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSc1nc(C)co1)C1CCOC1
InChIInChI=1S/C13H22N2O2S/c1-3-5-14-12(11-4-6-16-8-11)9-18-13-15-10(2)7-17-13/h7,11-12,14H,3-6,8-9H2,1-2H3
InChIKeyUYSJQMXONZXJSV-UHFFFAOYSA-N
XLogP2.48
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethylphenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755255
N-[1-(oxolan-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 113449462
N-[2-(1H-benzimidazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755266
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755832
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755215
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65329161
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 106927754) is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CSc1nc(C)co1)C1CCOC1.
What is the InChIKey of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is UYSJQMXONZXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-5-14-12(11-4-6-16-8-11)9-18-13-15-10(2)7-17-13/h7,11-12,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106927754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).