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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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).