2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine

C14H18N2OS — CID 66225626

IUPAC2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)CSCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-14-16-8-13(17-14)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyRPMSOVPGSAGDQR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds6

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

2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine (PubChem CID 66225626) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine
PubChem CID66225626
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)CSCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-14-16-8-13(17-14)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3
InChIKeyRPMSOVPGSAGDQR-UHFFFAOYSA-N
XLogP3.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propanoic acid
CID 61142516
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682966
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
4-fluoro-2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79128334
5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 9442192
3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 8783179
(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759596
2-fluoro-4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79130770
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
CID 12639620
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine (CID 66225626) is 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine is CC(CN)CSCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine?
The InChIKey is RPMSOVPGSAGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(7-15)9-18-10-14-16-8-13(17-14)12-5-3-2-4-6-12/h2-6,8,11H,7,9-10,15H2,1H3.
What are the key properties of 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine?
2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).