4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine

C14H20N2OS — CID 64702681

IUPAC4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Sc1nc2ccccc2o1
InChIInChI=1S/C14H20N2OS/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyQBYQDKIIEJFXDZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds6

About 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine

4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine (PubChem CID 64702681) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine
PubChem CID64702681
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CC(C)Sc1nc2ccccc2o1
InChIInChI=1S/C14H20N2OS/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyQBYQDKIIEJFXDZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzoxazol-2-ylsulfanyl)butan-1-amine
CID 60915392
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
4-(1,3-benzoxazol-2-ylsulfanyl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711271
3-(1,3-benzoxazol-2-ylsulfanyl)-N'-hydroxybutanimidamide
CID 54945094
2-amino-4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpentanamide
CID 64709546
3-(1,3-benzoxazol-2-ylsulfanyl)butan-2-ol
CID 79033827
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxypropyl)propan-1-amine
CID 62578737
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-2-(propylamino)pentanenitrile
CID 64710758
3-(1,3-benzoxazol-2-ylsulfanyl)pentan-1-amine
CID 43530609
[1-(1,3-benzoxazol-2-ylsulfanyl)-1-carboxyoxybutan-2-yl] hydrogen carbonate
CID 70459442
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The IUPAC name of 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine (CID 64702681) is 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine is CCNC(C)CC(C)Sc1nc2ccccc2o1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
The InChIKey is QBYQDKIIEJFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-15-10(2)9-11(3)18-14-16-12-7-5-6-8-13(12)17-14/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine?
4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64702681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).