N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide

C26H25FN6O5 — CID 24757611

IUPACN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1cccc(O)c1
InChIInChI=1S/C26H25FN6O5/c27-21-13-17(22-14-20(38-30-22)15-28-24-6-11-37-31-24)4-5-23(21)32-7-9-33(10-8-32)25(35)16-29-26(36)18-2-1-3-19(34)12-18/h1-6,11-14,34H,7-10,15-16H2,(H,28,31)(H,29,36)
InChIKeyHZHDXUVORSLTAW-UHFFFAOYSA-N
MW520.52 g/mol
LogP2.87
Rot. Bonds8

About N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide (PubChem CID 24757611) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide
PubChem CID24757611
Molecular FormulaC26H25FN6O5
Molecular Weight520.52 g/mol
Exact Mass520.19
IUPAC NameN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1cccc(O)c1
InChIInChI=1S/C26H25FN6O5/c27-21-13-17(22-14-20(38-30-22)15-28-24-6-11-37-31-24)4-5-23(21)32-7-9-33(10-8-32)25(35)16-29-26(36)18-2-1-3-19(34)12-18/h1-6,11-14,34H,7-10,15-16H2,(H,28,31)(H,29,36)
InChIKeyHZHDXUVORSLTAW-UHFFFAOYSA-N
XLogP2.87
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.52
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide (CID 24757611) is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide is O=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)c1cccc(O)c1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide?
The InChIKey is HZHDXUVORSLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O5/c27-21-13-17(22-14-20(38-30-22)15-28-24-6-11-37-31-24)4-5-23(21)32-7-9-33(10-8-32)25(35)16-29-26(36)18-2-1-3-19(34)12-18/h1-6,11-14,34H,7-10,15-16H2,(H,28,31)(H,29,36).
What are the key properties of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide?
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide has a molecular weight of 520.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-3-hydroxybenzamide is sourced from PubChem (CID 24757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).