N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide

C18H22FN5O4 — CID 10293828

IUPACN-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)c(=O)o1
InChIInChI=1S/C18H22FN5O4/c1-12(25)21-11-24-10-14(18(27)28-24)13-2-3-16(15(19)8-13)22-4-6-23(7-5-22)17(26)9-20/h2-3,8,10H,4-7,9,11,20H2,1H3,(H,21,25)
InChIKeyPNXLDLFNKFPKPN-UHFFFAOYSA-N
MW391.40 g/mol
LogP-0.05
Rot. Bonds5

About N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide

N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (PubChem CID 10293828) has the molecular formula C18H22FN5O4 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
PubChem CID10293828
Molecular FormulaC18H22FN5O4
Molecular Weight391.40 g/mol
Exact Mass391.17
IUPAC NameN-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)c(=O)o1
InChIInChI=1S/C18H22FN5O4/c1-12(25)21-11-24-10-14(18(27)28-24)13-2-3-16(15(19)8-13)22-4-6-23(7-5-22)17(26)9-20/h2-3,8,10H,4-7,9,11,20H2,1H3,(H,21,25)
InChIKeyPNXLDLFNKFPKPN-UHFFFAOYSA-N
XLogP-0.05
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide with MolForge

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Related Compounds

Ethyl 2-(4-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-YL)carbamoyl]amino}phenyl)acetate
CID 16010048
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]ethanethioamide
CID 9798538
N-[[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 9886304
N-[[4-[3-fluoro-4-(4-oxidomorpholin-4-ium-4-yl)phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 9950324
N-[[4-[3-fluoro-4-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 10228332
N-[[4-[3-fluoro-4-[4-(3-oxobutanoyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 10295493
N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 10298304
N-[[4-[3-fluoro-4-[4-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 10300892
Tert-butyl 4-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 18466553
N-[[5-oxo-4-(2-piperazin-1-ylphenyl)-1,2-oxazol-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 18466560
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
CID 18466575
N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide
CID 20619494

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (CID 10293828) is N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is CC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN)CC3)c(F)c2)c(=O)o1.
What is the InChIKey of N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The InChIKey is PNXLDLFNKFPKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O4/c1-12(25)21-11-24-10-14(18(27)28-24)13-2-3-16(15(19)8-13)22-4-6-23(7-5-22)17(26)9-20/h2-3,8,10H,4-7,9,11,20H2,1H3,(H,21,25).
What are the key properties of N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide has a molecular weight of 391.40 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[4-(2-aminoacetyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is sourced from PubChem (CID 10293828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).