N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide

C24H28N2O2 — CID 139212229

IUPACN-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide
SMILESCCCCNC(=O)C1c2ccccc2-c2ccc(C3=N[C@@H](C(C)C)CO3)cc21
InChIInChI=1S/C24H28N2O2/c1-4-5-12-25-23(27)22-19-9-7-6-8-17(19)18-11-10-16(13-20(18)22)24-26-21(14-28-24)15(2)3/h6-11,13,15,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22?/m1/s1
InChIKeyAGHTYOASGURMBN-ZMFCMNQTSA-N
MW376.50 g/mol
LogP4.52
Rot. Bonds6

About N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide

N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide (PubChem CID 139212229) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide
PubChem CID139212229
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide
SMILESCCCCNC(=O)C1c2ccccc2-c2ccc(C3=N[C@@H](C(C)C)CO3)cc21
InChIInChI=1S/C24H28N2O2/c1-4-5-12-25-23(27)22-19-9-7-6-8-17(19)18-11-10-16(13-20(18)22)24-26-21(14-28-24)15(2)3/h6-11,13,15,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22?/m1/s1
InChIKeyAGHTYOASGURMBN-ZMFCMNQTSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide?
The IUPAC name of N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide (CID 139212229) is N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide?
The canonical SMILES for N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide is CCCCNC(=O)C1c2ccccc2-c2ccc(C3=N[C@@H](C(C)C)CO3)cc21.
What is the InChIKey of N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide?
The InChIKey is AGHTYOASGURMBN-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-5-12-25-23(27)22-19-9-7-6-8-17(19)18-11-10-16(13-20(18)22)24-26-21(14-28-24)15(2)3/h6-11,13,15,21-22H,4-5,12,14H2,1-3H3,(H,25,27)/t21-,22?/m1/s1.
What are the key properties of N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide?
N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-9H-fluorene-9-carboxamide is sourced from PubChem (CID 139212229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).