4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine

C10H17N3O — CID 106415743

IUPAC4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccno2)CC1
InChIInChI=1S/C10H17N3O/c11-8-1-3-9(4-2-8)12-7-10-5-6-13-14-10/h5-6,8-9,12H,1-4,7,11H2
InChIKeyNVMBIWIWNWAJJT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.03
Rot. Bonds3

About 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine

4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 106415743) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
PubChem CID106415743
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccno2)CC1
InChIInChI=1S/C10H17N3O/c11-8-1-3-9(4-2-8)12-7-10-5-6-13-14-10/h5-6,8-9,12H,1-4,7,11H2
InChIKeyNVMBIWIWNWAJJT-UHFFFAOYSA-N
XLogP1.03
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934265
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 106415094
N-(1,2-oxazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106415508
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442
4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
CID 106417588
3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417784

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine (CID 106415743) is 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine is NC1CCC(NCc2ccno2)CC1.
What is the InChIKey of 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is NVMBIWIWNWAJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-8-1-3-9(4-2-8)12-7-10-5-6-13-14-10/h5-6,8-9,12H,1-4,7,11H2.
What are the key properties of 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine?
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 106415743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).