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

C15H20N2O2S — CID 64649376

IUPAC3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Sc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2S/c1-2-8-16-12-7-9-18-10-14(12)20-15-17-11-5-3-4-6-13(11)19-15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyFRLQEVCWHWEHGA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.08
Rot. Bonds5

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

3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine (PubChem CID 64649376) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
PubChem CID64649376
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1Sc1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2S/c1-2-8-16-12-7-9-18-10-14(12)20-15-17-11-5-3-4-6-13(11)19-15/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyFRLQEVCWHWEHGA-UHFFFAOYSA-N
XLogP3.08
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
2-(1,3-benzoxazol-2-ylsulfanyl)-N,4,4-trimethylcyclohexan-1-amine
CID 64647811
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol
CID 107772654
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
N-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]cyclopentanamine
CID 62577459
2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64648781
N-ethyl-3-(2-methoxyphenyl)sulfanyloxan-4-amine
CID 64628532
3-[2-(2-nitrophenyl)ethyl]-N-propyloxan-4-amine
CID 106469499
3-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropan-1-amine
CID 61386489
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
1-(1,3-benzoxazol-2-ylsulfanyl)-N-propylbutan-2-amine
CID 64650346

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine (CID 64649376) is 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine is CCCNC1CCOCC1Sc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine?
The InChIKey is FRLQEVCWHWEHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-8-16-12-7-9-18-10-14(12)20-15-17-11-5-3-4-6-13(11)19-15/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine?
3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine has a molecular weight of 292.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine is sourced from PubChem (CID 64649376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).