(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H21FN2O3 — CID 98753135

IUPAC(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)o1
InChIInChI=1S/C20H21FN2O3/c1-12-8-16(12)18-7-6-15(25-18)11-23(2)20(24)19-10-17(22-26-19)13-4-3-5-14(21)9-13/h3-7,9,12,16,19H,8,10-11H2,1-2H3/t12-,16-,19-/m1/s1
InChIKeyQBHLZNGYDNHCNO-SMNXXWJPSA-N
MW356.40 g/mol
LogP3.69
Rot. Bonds5

About (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 98753135) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID98753135
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)o1
InChIInChI=1S/C20H21FN2O3/c1-12-8-16(12)18-7-6-15(25-18)11-23(2)20(24)19-10-17(22-26-19)13-4-3-5-14(21)9-13/h3-7,9,12,16,19H,8,10-11H2,1-2H3/t12-,16-,19-/m1/s1
InChIKeyQBHLZNGYDNHCNO-SMNXXWJPSA-N
XLogP3.69
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51089120
(5S)-3-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94658216
(5S)-3-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52534801
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxamide
CID 106739295
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55954623
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 60717848
5-(4-fluorophenyl)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]furan-2-carboxamide
CID 37155018
3,3,3-trifluoro-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]propanamide
CID 94001598
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
3-(3-bromophenyl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495672
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 98753135) is (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)o1.
What is the InChIKey of (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QBHLZNGYDNHCNO-SMNXXWJPSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12-8-16(12)18-7-6-15(25-18)11-23(2)20(24)19-10-17(22-26-19)13-4-3-5-14(21)9-13/h3-7,9,12,16,19H,8,10-11H2,1-2H3/t12-,16-,19-/m1/s1.
What are the key properties of (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluorophenyl)-N-methyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 98753135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).