4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

C20H22N4O4 — CID 24821933

About 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 24821933) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 24821933
• Molecular Formula: C20H22N4O4
• Molecular Weight: 382.42 g/mol
• Exact Mass: 382.16
• IUPAC Name: 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)oc3c2)ccn1
• InChI: InChI=1S/C20H22N4O4/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1
• InChIKey: CTBNVFHRFUCPNY-YOEHRIQHSA-N
• XLogP: 3.09
• TPSA: 109.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.42
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 24821933) is 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4O)oc3c2)ccn1.

What is the InChIKey of 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?

The InChIKey is CTBNVFHRFUCPNY-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m0/s1.

What are the key properties of 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?

4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 24821933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).