3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide

C20H19ClN4O3 — CID 75469948

IUPAC3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cn1)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H19ClN4O3/c21-16-3-1-2-15(10-16)17-11-18(28-24-17)20(26)23-19-5-4-14(12-22-19)13-25-6-8-27-9-7-25/h1-5,10-12H,6-9,13H2,(H,22,23,26)
InChIKeyDYLAIEVHKZRVOU-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.47
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide

3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide (PubChem CID 75469948) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
PubChem CID75469948
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cn1)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H19ClN4O3/c21-16-3-1-2-15(10-16)17-11-18(28-24-17)20(26)23-19-5-4-14(12-22-19)13-25-6-8-27-9-7-25/h1-5,10-12H,6-9,13H2,(H,22,23,26)
InChIKeyDYLAIEVHKZRVOU-UHFFFAOYSA-N
XLogP3.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylpropyl N-[5-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]-2-pyridinyl]carbamate
CID 16746770
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
2,5-dimethyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 84590222
3-(3-chlorophenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 86874536
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
3-(3-chlorophenyl)-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 46949489
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-(5-bromo-2-pyridinyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 2281367
2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604426
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzimidazole-4-carboxamide
CID 67207570
3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
CID 95348268
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide (CID 75469948) is 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cn1)c1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DYLAIEVHKZRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-16-3-1-2-15(10-16)17-11-18(28-24-17)20(26)23-19-5-4-14(12-22-19)13-25-6-8-27-9-7-25/h1-5,10-12H,6-9,13H2,(H,22,23,26).
What are the key properties of 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide?
3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75469948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).