1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine

C9H16N2OS — CID 66220682

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
SMILESCc1noc(C)c1CSCC(C)N
InChIInChI=1S/C9H16N2OS/c1-6(10)4-13-5-9-7(2)11-12-8(9)3/h6H,4-5,10H2,1-3H3
InChIKeyFNIQMLSCXZPFTD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.87
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine (PubChem CID 66220682) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
PubChem CID66220682
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
SMILESCc1noc(C)c1CSCC(C)N
InChIInChI=1S/C9H16N2OS/c1-6(10)4-13-5-9-7(2)11-12-8(9)3/h6H,4-5,10H2,1-3H3
InChIKeyFNIQMLSCXZPFTD-UHFFFAOYSA-N
XLogP1.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66224289
(2S)-2-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 107773582
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 59882082
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]propan-2-amine
CID 66219480
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
CID 84603513
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484487
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 119597392
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine (CID 66220682) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine is Cc1noc(C)c1CSCC(C)N.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine?
The InChIKey is FNIQMLSCXZPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(10)4-13-5-9-7(2)11-12-8(9)3/h6H,4-5,10H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66220682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).