9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate

C24H26N2O5 — CID 171886140

IUPAC9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate
SMILESCc1noc(C)c1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-14-22(15(2)31-26-14)23(28)21(27)11-12-25-24(29)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23,27-28H,11-13H2,1-2H3,(H,25,29)
InChIKeyRFZLZWUHEBDSNO-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.61
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886140) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886140
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate
SMILESCc1noc(C)c1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-14-22(15(2)31-26-14)23(28)21(27)11-12-25-24(29)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23,27-28H,11-13H2,1-2H3,(H,25,29)
InChIKeyRFZLZWUHEBDSNO-UHFFFAOYSA-N
XLogP3.61
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1,3,5-trimethylpyrazol-4-yl)butyl]carbamate
CID 171886290
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[4-[2,6-bis(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887630
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-(2-methylpyrazol-3-yl)butyl]carbamate
CID 171887680
9H-fluoren-9-ylmethyl N-[4-(5-bromo-2-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887700
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3-methylthiophen-2-yl)butyl]carbamate
CID 171886026
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886199
9H-fluoren-9-ylmethyl N-[4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887750
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate
CID 171887228
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate (CID 171886140) is 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate is Cc1noc(C)c1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is RFZLZWUHEBDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14-22(15(2)31-26-14)23(28)21(27)11-12-25-24(29)30-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20-21,23,27-28H,11-13H2,1-2H3,(H,25,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 422.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).