9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate

C30H32N2O3 — CID 11385827

IUPAC9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate
SMILESC[C@@H]1N=C([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)O[C@H]1c1ccccc1
InChIInChI=1S/C30H32N2O3/c1-19-26(20-12-6-5-7-13-20)35-28(31-19)27(30(2,3)4)32-29(33)34-18-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,19,25-27H,18H2,1-4H3,(H,32,33)/t19-,26+,27+/m0/s1
InChIKeyDZJLPFBPQWVOQY-GTKZSKITSA-N
MW468.60 g/mol
LogP6.50
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate (PubChem CID 11385827) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate
PubChem CID11385827
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate
SMILESC[C@@H]1N=C([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)O[C@H]1c1ccccc1
InChIInChI=1S/C30H32N2O3/c1-19-26(20-12-6-5-7-13-20)35-28(31-19)27(30(2,3)4)32-29(33)34-18-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,19,25-27H,18H2,1-4H3,(H,32,33)/t19-,26+,27+/m0/s1
InChIKeyDZJLPFBPQWVOQY-GTKZSKITSA-N
XLogP6.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxy-4-methylpentanoic acid
CID 96581934
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2R,4S)-2-tert-butyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
CID 95048681
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 7018222
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylhex-5-enoic acid
CID 138987577
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethyl-4-oxohexanoic acid
CID 103819746
(2R)-3-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7010381

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate (CID 11385827) is 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate is C[C@@H]1N=C([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)C)O[C@H]1c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate?
The InChIKey is DZJLPFBPQWVOQY-GTKZSKITSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-19-26(20-12-6-5-7-13-20)35-28(31-19)27(30(2,3)4)32-29(33)34-18-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,19,25-27H,18H2,1-4H3,(H,32,33)/t19-,26+,27+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate has a molecular weight of 468.60 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1S)-2,2-dimethyl-1-[(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]carbamate is sourced from PubChem (CID 11385827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).