(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide

C20H27FN2O3 — CID 26319225

IUPAC(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
SMILESCC(C)[C@H]1C[C@H](C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)CCO1
InChIInChI=1S/C20H27FN2O3/c1-13(2)19-10-15(6-7-25-19)20(24)22-12-18-11-17(23-26-18)9-14-4-3-5-16(21)8-14/h3-5,8,13,15,18-19H,6-7,9-12H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyPTBSFHSXXDPVBK-AYOQOUSVSA-N
MW362.45 g/mol
LogP3.08
Rot. Bonds6

About (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide

(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide (PubChem CID 26319225) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
PubChem CID26319225
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
SMILESCC(C)[C@H]1C[C@H](C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)CCO1
InChIInChI=1S/C20H27FN2O3/c1-13(2)19-10-15(6-7-25-19)20(24)22-12-18-11-17(23-26-18)9-14-4-3-5-16(21)8-14/h3-5,8,13,15,18-19H,6-7,9-12H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1
InChIKeyPTBSFHSXXDPVBK-AYOQOUSVSA-N
XLogP3.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide with MolForge

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Related Compounds

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 45205568
(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 42482102
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45171377
(3R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 26325275
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45227430
(5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169616
2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42247905
(5S)-3-[(3-fluorophenyl)methyl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42371674
N-[(3-fluorophenyl)methyl]-3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 118754931
1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
CID 129471423
[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 42461995

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide?
The IUPAC name of (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide (CID 26319225) is (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide?
The canonical SMILES for (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide is CC(C)[C@H]1C[C@H](C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)CCO1.
What is the InChIKey of (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide?
The InChIKey is PTBSFHSXXDPVBK-AYOQOUSVSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-13(2)19-10-15(6-7-25-19)20(24)22-12-18-11-17(23-26-18)9-14-4-3-5-16(21)8-14/h3-5,8,13,15,18-19H,6-7,9-12H2,1-2H3,(H,22,24)/t15-,18+,19-/m1/s1.
What are the key properties of (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide?
(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide is sourced from PubChem (CID 26319225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).