2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine

C16H22N2OS — CID 106927931

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCc1nc(SCC(N)c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C16H22N2OS/c1-10(2)13-5-7-14(8-6-13)15(17)9-20-16-18-11(3)12(4)19-16/h5-8,10,15H,9,17H2,1-4H3
InChIKeyBDNIJTKEDULQOP-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.21
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 106927931) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID106927931
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESCc1nc(SCC(N)c2ccc(C(C)C)cc2)oc1C
InChIInChI=1S/C16H22N2OS/c1-10(2)13-5-7-14(8-6-13)15(17)9-20-16-18-11(3)12(4)19-16/h5-8,10,15H,9,17H2,1-4H3
InChIKeyBDNIJTKEDULQOP-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106927882
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutan-2-amine
CID 106927874
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpropan-1-amine
CID 106923898
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(4-methylphenyl)ethanamine
CID 106927853
2-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921044
(1R)-1-[3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923297
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 106928061
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 106923913
4-chloro-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106922285
1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927993
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanamine
CID 64650543

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 106927931) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine is Cc1nc(SCC(N)c2ccc(C(C)C)cc2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is BDNIJTKEDULQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)13-5-7-14(8-6-13)15(17)9-20-16-18-11(3)12(4)19-16/h5-8,10,15H,9,17H2,1-4H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 106927931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).