N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide

C23H32N4O5 — CID 162789869

IUPACN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2OC(Cc3cc(CN4CCNCC4)on3)CCC2O)cc1
InChIInChI=1S/C23H32N4O5/c1-30-18-4-2-16(3-5-18)23(29)25-14-22-21(28)7-6-19(31-22)12-17-13-20(32-26-17)15-27-10-8-24-9-11-27/h2-5,13,19,21-22,24,28H,6-12,14-15H2,1H3,(H,25,29)
InChIKeyDPWDWNJLTUXVHM-UHFFFAOYSA-N
MW444.53 g/mol
LogP0.97
Rot. Bonds8

About N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide

N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide (PubChem CID 162789869) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide
PubChem CID162789869
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2OC(Cc3cc(CN4CCNCC4)on3)CCC2O)cc1
InChIInChI=1S/C23H32N4O5/c1-30-18-4-2-16(3-5-18)23(29)25-14-22-21(28)7-6-19(31-22)12-17-13-20(32-26-17)15-27-10-8-24-9-11-27/h2-5,13,19,21-22,24,28H,6-12,14-15H2,1H3,(H,25,29)
InChIKeyDPWDWNJLTUXVHM-UHFFFAOYSA-N
XLogP0.97
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]acetamide
CID 75536440
1-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 75536449
N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide
CID 162790170
(2R,3S,6S)-2-(aminomethyl)-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75536439
6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
CID 163057718
1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
CID 75536433
6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162999279
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 75367017
(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-[[(4-methoxyphenyl)methylamino]methyl]oxan-3-ol
CID 100584360
2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162789842
6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162800550
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 86769373

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide (CID 162789869) is N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2OC(Cc3cc(CN4CCNCC4)on3)CCC2O)cc1.
What is the InChIKey of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is DPWDWNJLTUXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-30-18-4-2-16(3-5-18)23(29)25-14-22-21(28)7-6-19(31-22)12-17-13-20(32-26-17)15-27-10-8-24-9-11-27/h2-5,13,19,21-22,24,28H,6-12,14-15H2,1H3,(H,25,29).
What are the key properties of N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide?
N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 444.53 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 162789869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).