5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C18H15ClN2O3 — CID 110908974

IUPAC5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H15ClN2O3/c19-15-7-3-6-12(8-15)17-9-16(21-24-17)18(23)20-10-13-4-1-2-5-14(13)11-22/h1-9,22H,10-11H2,(H,20,23)
InChIKeyDKYDEVPPWHUKDO-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.42
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 110908974) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID110908974
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H15ClN2O3/c19-15-7-3-6-12(8-15)17-9-16(21-24-17)18(23)20-10-13-4-1-2-5-14(13)11-22/h1-9,22H,10-11H2,(H,20,23)
InChIKeyDKYDEVPPWHUKDO-UHFFFAOYSA-N
XLogP3.42
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
5-(3-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 56554888
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
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5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120652870
5-(3-chlorophenyl)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-1,2-oxazole-3-carboxamide
CID 55859531
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
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N-[(2,5-dimethylfuran-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90536099
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 55991496
N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 110908974) is 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1CO)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DKYDEVPPWHUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-15-7-3-6-12(8-15)17-9-16(21-24-17)18(23)20-10-13-4-1-2-5-14(13)11-22/h1-9,22H,10-11H2,(H,20,23).
What are the key properties of 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110908974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).