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

C10H18N2OS — CID 66224289

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
SMILESCc1noc(C)c1CSCC(C)CN
InChIInChI=1S/C10H18N2OS/c1-7(4-11)5-14-6-10-8(2)12-13-9(10)3/h7H,4-6,11H2,1-3H3
InChIKeyBMLBUXBGWPMYIE-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.12
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine (PubChem CID 66224289) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
PubChem CID66224289
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
SMILESCc1noc(C)c1CSCC(C)CN
InChIInChI=1S/C10H18N2OS/c1-7(4-11)5-14-6-10-8(2)12-13-9(10)3/h7H,4-6,11H2,1-3H3
InChIKeyBMLBUXBGWPMYIE-UHFFFAOYSA-N
XLogP2.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propan-2-amine
CID 66220682
(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]-N,N-bis(2-methylpropyl)acetamide
CID 84603513
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 59882082
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 119597392
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66225179
N-(3-amino-2-methylpropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 119997351
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
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine (CID 66224289) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine is Cc1noc(C)c1CSCC(C)CN.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine?
The InChIKey is BMLBUXBGWPMYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(4-11)5-14-6-10-8(2)12-13-9(10)3/h7H,4-6,11H2,1-3H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine has a molecular weight of 214.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66224289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).