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

C18H28N2O — CID 60972352

IUPAC1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C18H28N2O/c1-11-12(2)21-17(20-11)10-19-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,19H,4-10H2,1-3H3
InChIKeyVYWUWULHFSGEAO-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.99
Rot. Bonds4

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

1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 60972352) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID60972352
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)C23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C18H28N2O/c1-11-12(2)21-17(20-11)10-19-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,19H,4-10H2,1-3H3
InChIKeyVYWUWULHFSGEAO-UHFFFAOYSA-N
XLogP3.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102673123
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 102673186
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104696222
1-(3,3-difluorocyclohexyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114224024
N-(1-adamantylmethyl)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-N-methylmethanamine
CID 91641763
N-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methyl]-1-(4,5-dimethyl-1,3-oxazol-2-yl)-N-methylmethanamine
CID 156449650
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]adamantan-1-amine
CID 54881712
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 54882194
2-cyclohexyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54882237
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 54882262
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54882280
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-methylheptan-2-amine
CID 54955020

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 60972352) is 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is Cc1nc(CNC(C)C23CC4CC(CC(C4)C2)C3)oc1C.
What is the InChIKey of 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is VYWUWULHFSGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11-12(2)21-17(20-11)10-19-13(3)18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,19H,4-10H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 288.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 60972352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).