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

C17H26N2O — CID 81100139

IUPACN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O/c1-10(2)18-8-15-17(20-9-19-15)16-13-4-11-3-12(6-13)7-14(16)5-11/h9-14,16,18H,3-8H2,1-2H3
InChIKeyXSODTMQIDPGZLT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.71
Rot. Bonds4

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

N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 81100139) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID81100139
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O/c1-10(2)18-8-15-17(20-9-19-15)16-13-4-11-3-12(6-13)7-14(16)5-11/h9-14,16,18H,3-8H2,1-2H3
InChIKeyXSODTMQIDPGZLT-UHFFFAOYSA-N
XLogP3.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 81100139) is N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is XSODTMQIDPGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-10(2)18-8-15-17(20-9-19-15)16-13-4-11-3-12(6-13)7-14(16)5-11/h9-14,16,18H,3-8H2,1-2H3.
What are the key properties of N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 81100139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).