N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride

C32H41ClN4O5 — CID 137169018

About N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 137169018) has the molecular formula C32H41ClN4O5 and a molecular weight of 597.16 g/mol. Its IUPAC name is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride
• PubChem CID: 137169018
• Molecular Formula: C32H41ClN4O5
• Molecular Weight: 597.16 g/mol
• Exact Mass: 596.28
• IUPAC Name: N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride
• SMILES: CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c(O)cc1O.Cl
• InChI: InChI=1S/C32H40N4O5.ClH/c1-20(2)25-17-26(28(38)18-27(25)37)30-29(32(41-34-30)33-31(39)23-7-8-23)22-5-3-21(4-6-22)19-35-11-9-24(10-12-35)36-13-15-40-16-14-36;/h3-6,17-18,20,23-24,37-38H,7-16,19H2,1-2H3,(H,33,39);1H
• InChIKey: HHGIKWNFZMABSD-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 111.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.16
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride?

The IUPAC name of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride (CID 137169018) is N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride.

What is the SMILES notation for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride?

The canonical SMILES for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride is CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCC(N4CCOCC4)CC3)cc2)c(O)cc1O.Cl.

What is the InChIKey of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride?

The InChIKey is HHGIKWNFZMABSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5.ClH/c1-20(2)25-17-26(28(38)18-27(25)37)30-29(32(41-34-30)33-31(39)23-7-8-23)22-5-3-21(4-6-22)19-35-11-9-24(10-12-35)36-13-15-40-16-14-36;/h3-6,17-18,20,23-24,37-38H,7-16,19H2,1-2H3,(H,33,39);1H.

What are the key properties of N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride?

N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 597.16 g/mol, XLogP of 5.61, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-1,2-oxazol-5-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 137169018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).