N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine

C18H26N2O — CID 127029642

IUPACN-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1c(CNC23CC4CC(CC(C4)C2)C3)noc1C1CCC1
InChIInChI=1S/C18H26N2O/c1-2-15(3-1)17-7-16(20-21-17)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h7,12-15,19H,1-6,8-11H2
InChIKeyOFLRTHVMBHTPFQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.00
Rot. Bonds4

About N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine

N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (PubChem CID 127029642) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
PubChem CID127029642
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
SMILESc1c(CNC23CC4CC(CC(C4)C2)C3)noc1C1CCC1
InChIInChI=1S/C18H26N2O/c1-2-15(3-1)17-7-16(20-21-17)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h7,12-15,19H,1-6,8-11H2
InChIKeyOFLRTHVMBHTPFQ-UHFFFAOYSA-N
XLogP4.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((5-cyclopropylisoxazol-3-yl)methyl)adamantan-1-amine
CID 89615581
N-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 89615638
Tricyclo[3.3.1.13,7]decan-1-ol, 3-[[(5-cyclopropyl-3-isoxazolyl)methyl]amino]-
CID 137651899
1-(Adamant-1-ylmethyl)-3-[(5-isopropylisoxazol-3-yl)methyl]-3-methylurea
CID 122195462
3-[(5-Cyclopentyl-1,2-oxazol-3-yl)methylamino]adamantan-1-ol
CID 137636825
N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 137650254
3-[(5-Cyclohexyl-1,2-oxazol-3-yl)methylamino]adamantan-1-ol
CID 137650296
3-[(5-Cyclobutyl-1,2-oxazol-3-yl)methylamino]adamantan-1-ol
CID 137651678
1-(1-Adamantyl)-3-[(5-methylisoxazol-3-yl)methyl]urea
CID 47760732
5-[(5-Cyclopropyl-1,2-oxazol-3-yl)methylamino]adamantan-2-one
CID 137633495
N-[(5-propyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 71609760
N-[[5-(2-methyl-2-methylsulfanylpropyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 71609805

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine (CID 127029642) is N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is c1c(CNC23CC4CC(CC(C4)C2)C3)noc1C1CCC1.
What is the InChIKey of N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
The InChIKey is OFLRTHVMBHTPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-15(3-1)17-7-16(20-21-17)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18/h7,12-15,19H,1-6,8-11H2.
What are the key properties of N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine?
N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 127029642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).