9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H30ClN3O2 — CID 120992210

IUPAC9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-3-15-14(16(4-2)23-21-15)10-20-18(22)13-8-11-6-5-7-12(9-13)17(11)19;/h11-13,17H,3-10,19H2,1-2H3,(H,20,22);1H
InChIKeyXMRHVYUJYARARQ-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.99
Rot. Bonds5

About 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992210) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120992210
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-3-15-14(16(4-2)23-21-15)10-20-18(22)13-8-11-6-5-7-12(9-13)17(11)19;/h11-13,17H,3-10,19H2,1-2H3,(H,20,22);1H
InChIKeyXMRHVYUJYARARQ-UHFFFAOYSA-N
XLogP2.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992210) is 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCc1noc(CC)c1CNC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is XMRHVYUJYARARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-3-15-14(16(4-2)23-21-15)10-20-18(22)13-8-11-6-5-7-12(9-13)17(11)19;/h11-13,17H,3-10,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).