1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea

C13H14FN3O3 — CID 135886556

IUPAC1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea
SMILESCC(C)[C@H]1OC(=NC(=O)Nc2ccc(F)cc2)NC1=O
InChIInChI=1S/C13H14FN3O3/c1-7(2)10-11(18)16-13(20-10)17-12(19)15-9-5-3-8(14)4-6-9/h3-7,10H,1-2H3,(H2,15,16,17,18,19)/t10-/m1/s1
InChIKeyQUAFTLJQAWWHKX-SNVBAGLBSA-N
MW279.27 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea

1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea (PubChem CID 135886556) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea
PubChem CID135886556
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea
SMILESCC(C)[C@H]1OC(=NC(=O)Nc2ccc(F)cc2)NC1=O
InChIInChI=1S/C13H14FN3O3/c1-7(2)10-11(18)16-13(20-10)17-12(19)15-9-5-3-8(14)4-6-9/h3-7,10H,1-2H3,(H2,15,16,17,18,19)/t10-/m1/s1
InChIKeyQUAFTLJQAWWHKX-SNVBAGLBSA-N
XLogP1.88
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea
CID 135544737
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
N-(4-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 53010175
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea (CID 135886556) is 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea is CC(C)[C@H]1OC(=NC(=O)Nc2ccc(F)cc2)NC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea?
The InChIKey is QUAFTLJQAWWHKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-7(2)10-11(18)16-13(20-10)17-12(19)15-9-5-3-8(14)4-6-9/h3-7,10H,1-2H3,(H2,15,16,17,18,19)/t10-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea?
1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea has a molecular weight of 279.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea is sourced from PubChem (CID 135886556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).