4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid

C24H20N4O5 — CID 167719740

IUPAC4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid
SMILESN#Cc1nc(C(=O)O)oc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H20N4O5/c25-13-20-22(33-21(26-20)23(29)30)27-9-11-28(12-10-27)24(31)32-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-12,14H2,(H,29,30)
InChIKeyLXTVFCXXGFRZOZ-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.32
Rot. Bonds4

About 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid

4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid (PubChem CID 167719740) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid
PubChem CID167719740
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC Name4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid
SMILESN#Cc1nc(C(=O)O)oc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H20N4O5/c25-13-20-22(33-21(26-20)23(29)30)27-9-11-28(12-10-27)24(31)32-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-12,14H2,(H,29,30)
InChIKeyLXTVFCXXGFRZOZ-UHFFFAOYSA-N
XLogP3.32
TPSA119.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
6-[4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 131441818
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid (CID 167719740) is 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid is N#Cc1nc(C(=O)O)oc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid?
The InChIKey is LXTVFCXXGFRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c25-13-20-22(33-21(26-20)23(29)30)27-9-11-28(12-10-27)24(31)32-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-12,14H2,(H,29,30).
What are the key properties of 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid?
4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid has a molecular weight of 444.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 167719740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).