aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine

C18H23N5O — CID 164909353

IUPACaniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine
SMILESNc1cc2oc(C3CCCCC3)nc2nc1N.Nc1ccccc1
InChIInChI=1S/C12H16N4O.C6H7N/c13-8-6-9-11(15-10(8)14)16-12(17-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5,13H2,(H2,14,15);1-5H,7H2
InChIKeyCLWOVRNXZCLXHY-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.70
Rot. Bonds1

About aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine

aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine (PubChem CID 164909353) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine.

Molecular Properties

Compound Nameaniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine
PubChem CID164909353
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Nameaniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine
SMILESNc1cc2oc(C3CCCCC3)nc2nc1N.Nc1ccccc1
InChIInChI=1S/C12H16N4O.C6H7N/c13-8-6-9-11(15-10(8)14)16-12(17-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5,13H2,(H2,14,15);1-5H,7H2
InChIKeyCLWOVRNXZCLXHY-UHFFFAOYSA-N
XLogP3.70
TPSA116.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine with MolForge

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Related Compounds

2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
aniline;cyclobutane
CID 174919664
2-cyclobutyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
CID 84661980
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
5-chloro-2-cyclopentyl-1,3-benzoxazol-7-amine
CID 82231734
2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)aniline
CID 62075542
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 82483093
2-cyclopentyl-5-methyl-[1,3]oxazolo[5,4-b]pyridin-6-amine
CID 115030156
3-cycloheptylaniline
CID 22019641

Frequently Asked Questions

What is the IUPAC name of aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine?
The IUPAC name of aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine (CID 164909353) is aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine.
What is the SMILES notation for aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine?
The canonical SMILES for aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine is Nc1cc2oc(C3CCCCC3)nc2nc1N.Nc1ccccc1.
What is the InChIKey of aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine?
The InChIKey is CLWOVRNXZCLXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.C6H7N/c13-8-6-9-11(15-10(8)14)16-12(17-9)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h6-7H,1-5,13H2,(H2,14,15);1-5H,7H2.
What are the key properties of aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine?
aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine has a molecular weight of 325.42 g/mol, XLogP of 3.70, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-cyclohexyl-[1,3]oxazolo[4,5-b]pyridine-5,6-diamine is sourced from PubChem (CID 164909353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).