N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C19H29N3O2 — CID 71610238

IUPACN-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESc1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCOCC1
InChIInChI=1S/C19H29N3O2/c1-3-23-4-2-22(1)13-18-8-17(21-24-18)12-20-19-9-14-5-15(10-19)7-16(6-14)11-19/h8,14-16,20H,1-7,9-13H2
InChIKeySVLODXMZJFVGPD-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds5

About N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 71610238) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID71610238
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESc1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCOCC1
InChIInChI=1S/C19H29N3O2/c1-3-23-4-2-22(1)13-18-8-17(21-24-18)12-20-19-9-14-5-15(10-19)7-16(6-14)11-19/h8,14-16,20H,1-7,9-13H2
InChIKeySVLODXMZJFVGPD-UHFFFAOYSA-N
XLogP2.57
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 71610238) is N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is c1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCOCC1.
What is the InChIKey of N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is SVLODXMZJFVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-23-4-2-22(1)13-18-8-17(21-24-18)12-20-19-9-14-5-15(10-19)7-16(6-14)11-19/h8,14-16,20H,1-7,9-13H2.
What are the key properties of N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 71610238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).