9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate

C28H26N2O6 — CID 171887464

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1ccc(O)c(-c2ccno2)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O6/c31-24-10-9-17(15-22(24)26-12-14-30-36-26)27(33)25(32)11-13-29-28(34)35-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-10,12,14-15,23,25,27,31-33H,11,13,16H2,(H,29,34)
InChIKeyFSDXISSWQLJQEP-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.37
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate (PubChem CID 171887464) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate
PubChem CID171887464
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1ccc(O)c(-c2ccno2)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26N2O6/c31-24-10-9-17(15-22(24)26-12-14-30-36-26)27(33)25(32)11-13-29-28(34)35-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-10,12,14-15,23,25,27,31-33H,11,13,16H2,(H,29,34)
InChIKeyFSDXISSWQLJQEP-UHFFFAOYSA-N
XLogP4.37
TPSA125.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-hydroxybenzoate
CID 171887245
9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
CID 171886846
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886457
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
CID 171887623
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886661
9H-fluoren-9-ylmethyl N-[4-[4-bromo-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887778
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate (CID 171887464) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate is O=C(NCCC(O)C(O)c1ccc(O)c(-c2ccno2)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate?
The InChIKey is FSDXISSWQLJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c31-24-10-9-17(15-22(24)26-12-14-30-36-26)27(33)25(32)11-13-29-28(34)35-16-23-20-7-3-1-5-18(20)19-6-2-4-8-21(19)23/h1-10,12,14-15,23,25,27,31-33H,11,13,16H2,(H,29,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate has a molecular weight of 486.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-hydroxy-3-(1,2-oxazol-5-yl)phenyl]butyl]carbamate is sourced from PubChem (CID 171887464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).