3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C18H16ClN3O3 — CID 100632211

IUPAC3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESC[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H16ClN3O3/c1-11(23)17-15(18(24)21-10-12-3-2-8-20-9-12)16(22-25-17)13-4-6-14(19)7-5-13/h2-9,11,23H,10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyWFFWRBYKNNINNZ-NSHDSACASA-N
MW357.80 g/mol
LogP3.37
Rot. Bonds5

About 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 100632211) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID100632211
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESC[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccnc1
InChIInChI=1S/C18H16ClN3O3/c1-11(23)17-15(18(24)21-10-12-3-2-8-20-9-12)16(22-25-17)13-4-6-14(19)7-5-13/h2-9,11,23H,10H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyWFFWRBYKNNINNZ-NSHDSACASA-N
XLogP3.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-hydroxyethyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 163093181
5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162939070
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
5-(1-hydroxyethyl)-N-methyl-3-pyridin-3-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 162800357
3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 1070191
3-(4-chlorophenyl)-N-cyclopentyl-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162800200
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818370
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
5-(4-bromophenyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 110677073

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 100632211) is 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cccnc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WFFWRBYKNNINNZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11(23)17-15(18(24)21-10-12-3-2-8-20-9-12)16(22-25-17)13-4-6-14(19)7-5-13/h2-9,11,23H,10H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100632211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).