4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide

C20H23N5O2 — CID 89325818

IUPAC4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc3nc(NCC4CCCCC4)oc3c2)ccn1
InChIInChI=1S/C20H23N5O2/c21-19(22)17-10-15(8-9-23-17)26-14-6-7-16-18(11-14)27-20(25-16)24-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H3,21,22)(H,24,25)
InChIKeyNEFPXOKBZNHJOD-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.29
Rot. Bonds6

About 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide

4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide (PubChem CID 89325818) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide
PubChem CID89325818
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2ccc3nc(NCC4CCCCC4)oc3c2)ccn1
InChIInChI=1S/C20H23N5O2/c21-19(22)17-10-15(8-9-23-17)26-14-6-7-16-18(11-14)27-20(25-16)24-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H3,21,22)(H,24,25)
InChIKeyNEFPXOKBZNHJOD-UHFFFAOYSA-N
XLogP4.29
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[[4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carbonyl]amino]carbamic acid
CID 141187566
4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780749
2-N-(cyclohexylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891086
4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821933
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
1-[[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid;N-methyl-4-[[2-[[1-(methylcarbamoyl)cyclohexyl]methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 159225657
4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780773
4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 141187575
4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821728
N-methyl-4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821671
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780772
4-[[2-(cyclohexylmethylamino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 71019338

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide?
The IUPAC name of 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide (CID 89325818) is 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide?
The canonical SMILES for 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(Oc2ccc3nc(NCC4CCCCC4)oc3c2)ccn1.
What is the InChIKey of 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide?
The InChIKey is NEFPXOKBZNHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-19(22)17-10-15(8-9-23-17)26-14-6-7-16-18(11-14)27-20(25-16)24-12-13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H3,21,22)(H,24,25).
What are the key properties of 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide?
4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide has a molecular weight of 365.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide is sourced from PubChem (CID 89325818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).