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

C17H26N2OS — CID 106927993

IUPAC1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1nc(SCC(N)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C17H26N2OS/c1-10-11(2)20-16(19-10)21-9-15(18)17-6-12-3-13(7-17)5-14(4-12)8-17/h12-15H,3-9,18H2,1-2H3
InChIKeyQCYFMNWIWWBICH-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.93
Rot. Bonds4

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

1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (PubChem CID 106927993) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
PubChem CID106927993
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
SMILESCc1nc(SCC(N)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C17H26N2OS/c1-10-11(2)20-16(19-10)21-9-15(18)17-6-12-3-13(7-17)5-14(4-12)8-17/h12-15H,3-9,18H2,1-2H3
InChIKeyQCYFMNWIWWBICH-UHFFFAOYSA-N
XLogP3.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(1-adamantyl)-2-phenylsulfanylethanamine
CID 64619212
2-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921044
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106927931
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208
1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 60972352
2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
CID 106924789
(2R)-N-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 94147564
1-(1-adamantyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332291
1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79177412
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpentan-2-amine
CID 106927844

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine (CID 106927993) is 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is Cc1nc(SCC(N)C23CC4CC(CC(C4)C2)C3)oc1C.
What is the InChIKey of 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
The InChIKey is QCYFMNWIWWBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-10-11(2)20-16(19-10)21-9-15(18)17-6-12-3-13(7-17)5-14(4-12)8-17/h12-15H,3-9,18H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine?
1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine has a molecular weight of 306.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 106927993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).