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

C25H29FN6O4 — CID 24757421

IUPACN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CCCC1
InChIInChI=1S/C25H29FN6O4/c26-20-13-18(21-14-19(36-29-21)15-27-23-7-12-35-30-23)5-6-22(20)31-8-10-32(11-9-31)24(33)16-28-25(34)17-3-1-2-4-17/h5-7,12-14,17H,1-4,8-11,15-16H2,(H,27,30)(H,28,34)
InChIKeyCMSXBBATAKEGNG-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.04
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]cyclopentanecarboxamide

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 24757421) has the molecular formula C25H29FN6O4 and a molecular weight of 496.54 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]cyclopentanecarboxamide.

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]cyclopentanecarboxamide
PubChem CID24757421
Molecular FormulaC25H29FN6O4
Molecular Weight496.54 g/mol
Exact Mass496.22
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]cyclopentanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CCCC1
InChIInChI=1S/C25H29FN6O4/c26-20-13-18(21-14-19(36-29-21)15-27-23-7-12-35-30-23)5-6-22(20)31-8-10-32(11-9-31)24(33)16-28-25(34)17-3-1-2-4-17/h5-7,12-14,17H,1-4,8-11,15-16H2,(H,27,30)(H,28,34)
InChIKeyCMSXBBATAKEGNG-UHFFFAOYSA-N
XLogP3.04
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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]cyclopentanecarboxamide?
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]cyclopentanecarboxamide (CID 24757421) 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]cyclopentanecarboxamide.
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]cyclopentanecarboxamide?
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]cyclopentanecarboxamide is O=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CCCC1.
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]cyclopentanecarboxamide?
The InChIKey is CMSXBBATAKEGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O4/c26-20-13-18(21-14-19(36-29-21)15-27-23-7-12-35-30-23)5-6-22(20)31-8-10-32(11-9-31)24(33)16-28-25(34)17-3-1-2-4-17/h5-7,12-14,17H,1-4,8-11,15-16H2,(H,27,30)(H,28,34).
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]cyclopentanecarboxamide?
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 496.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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]cyclopentanecarboxamide is sourced from PubChem (CID 24757421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).