2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide

C15H15Cl2FN2O4 — CID 58631088

IUPAC2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cc(CO)no2)cc1)C(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O4/c16-14(17)15(23)19-11(6-18)13(22)9-3-1-8(2-4-9)12-5-10(7-21)20-24-12/h1-5,11,13-14,21-22H,6-7H2,(H,19,23)/t11-,13-/m1/s1
InChIKeyDORIFVMCBGGFAJ-DGCLKSJQSA-N
MW377.20 g/mol
LogP2.13
Rot. Bonds7

About 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide

2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide (PubChem CID 58631088) has the molecular formula C15H15Cl2FN2O4 and a molecular weight of 377.20 g/mol. Its IUPAC name is 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide
PubChem CID58631088
Molecular FormulaC15H15Cl2FN2O4
Molecular Weight377.20 g/mol
Exact Mass376.04
IUPAC Name2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide
SMILESO=C(N[C@H](CF)[C@H](O)c1ccc(-c2cc(CO)no2)cc1)C(Cl)Cl
InChIInChI=1S/C15H15Cl2FN2O4/c16-14(17)15(23)19-11(6-18)13(22)9-3-1-8(2-4-9)12-5-10(7-21)20-24-12/h1-5,11,13-14,21-22H,6-7H2,(H,19,23)/t11-,13-/m1/s1
InChIKeyDORIFVMCBGGFAJ-DGCLKSJQSA-N
XLogP2.13
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(methylsulfonylmethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide
CID 90075014
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-[3-(methanesulfonamidomethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide
CID 123871415
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]propan-2-yl]acetamide
CID 58631139
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-(1,2-oxazol-5-yl)phenyl]propan-2-yl]acetamide
CID 23570499
2,2-difluoro-N-[(2S,3R)-1-fluoro-3-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]butan-2-yl]acetamide
CID 142806698
N-[1-[4-[5-(aminomethyl)thiophen-3-yl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 123867789
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-(1,3,4-thiadiazol-2-yl)phenyl]propan-2-yl]acetamide
CID 10172443
N-[(1R,2S)-1-[4-(4-acetylphenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 58631081
2,2-dichloro-N-[1-[4-(6-chloropyridazin-3-yl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]acetamide
CID 23570506
N-[1-[4-(6-bromo-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 88924293
N-[1-[4-[6-[(carbamoylamino)methyl]-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 123677218
N-[1-[4-(4-aminosulfanylphenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 142806653

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide (CID 58631088) is 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide is O=C(N[C@H](CF)[C@H](O)c1ccc(-c2cc(CO)no2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide?
The InChIKey is DORIFVMCBGGFAJ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O4/c16-14(17)15(23)19-11(6-18)13(22)9-3-1-8(2-4-9)12-5-10(7-21)20-24-12/h1-5,11,13-14,21-22H,6-7H2,(H,19,23)/t11-,13-/m1/s1.
What are the key properties of 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide?
2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide has a molecular weight of 377.20 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 58631088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).