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

C23H27FN8O5 — CID 24757515

IUPAC3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide
SMILESNC(=O)NCCC(=O)NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1
InChIInChI=1S/C23H27FN8O5/c24-17-11-15(18-12-16(37-29-18)13-27-20-4-10-36-30-20)1-2-19(17)31-6-8-32(9-7-31)22(34)14-28-21(33)3-5-26-23(25)35/h1-2,4,10-12H,3,5-9,13-14H2,(H,27,30)(H,28,33)(H3,25,26,35)
InChIKeyVFBPLALXBWPIEY-UHFFFAOYSA-N
MW514.52 g/mol
LogP0.90
Rot. Bonds10

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

3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide (PubChem CID 24757515) has the molecular formula C23H27FN8O5 and a molecular weight of 514.52 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide
PubChem CID24757515
Molecular FormulaC23H27FN8O5
Molecular Weight514.52 g/mol
Exact Mass514.21
IUPAC Name3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide
SMILESNC(=O)NCCC(=O)NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1
InChIInChI=1S/C23H27FN8O5/c24-17-11-15(18-12-16(37-29-18)13-27-20-4-10-36-30-20)1-2-19(17)31-6-8-32(9-7-31)22(34)14-28-21(33)3-5-26-23(25)35/h1-2,4,10-12H,3,5-9,13-14H2,(H,27,30)(H,28,33)(H3,25,26,35)
InChIKeyVFBPLALXBWPIEY-UHFFFAOYSA-N
XLogP0.90
TPSA171.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.52
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[2-[4-[2,6-difluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-8-hydroxyquinoline-2-carboxamide
CID 16654962
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
N-[[3-[3-fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 91592534
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-bromobenzoate
CID 41165083
2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47069420
benzyl N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748954
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119837006
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645
2-(4-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 6460181

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide (CID 24757515) is 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide is NC(=O)NCCC(=O)NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide?
The InChIKey is VFBPLALXBWPIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O5/c24-17-11-15(18-12-16(37-29-18)13-27-20-4-10-36-30-20)1-2-19(17)31-6-8-32(9-7-31)22(34)14-28-21(33)3-5-26-23(25)35/h1-2,4,10-12H,3,5-9,13-14H2,(H,27,30)(H,28,33)(H3,25,26,35).
What are the key properties of 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide?
3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide has a molecular weight of 514.52 g/mol, XLogP of 0.90, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 24757515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).