N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine

C12H22N2OS — CID 106925868

IUPACN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-13-8-11(3)16-12-14-10(2)9-15-12/h9,11,13H,4-8H2,1-3H3
InChIKeyLJYLPBNELMLWRF-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.24
Rot. Bonds8

About N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine

N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine (PubChem CID 106925868) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
PubChem CID106925868
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nc(C)co1
InChIInChI=1S/C12H22N2OS/c1-4-5-6-7-13-8-11(3)16-12-14-10(2)9-15-12/h9,11,13H,4-8H2,1-3H3
InChIKeyLJYLPBNELMLWRF-UHFFFAOYSA-N
XLogP3.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925841
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
CID 102925919
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 62578684
N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62581020
N-[2-(1,3-benzothiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62578544
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
CID 106926006
2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925088
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The IUPAC name of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine (CID 106925868) is N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine.
What is the SMILES notation for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The canonical SMILES for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine is CCCCCNCC(C)Sc1nc(C)co1.
What is the InChIKey of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine?
The InChIKey is LJYLPBNELMLWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-5-6-7-13-8-11(3)16-12-14-10(2)9-15-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine?
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine is sourced from PubChem (CID 106925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).