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

C17H22N4O3 — CID 56739715

IUPACN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C17H22N4O3/c1-12-4-3-5-18-16(12)13(2)19-17(22)15-10-14(24-20-15)11-21-6-8-23-9-7-21/h3-5,10,13H,6-9,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyLLXFXASGKCLBSS-ZDUSSCGKSA-N
MW330.39 g/mol
LogP1.70
Rot. Bonds5

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

N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56739715) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID56739715
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccnc1[C@H](C)NC(=O)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C17H22N4O3/c1-12-4-3-5-18-16(12)13(2)19-17(22)15-10-14(24-20-15)11-21-6-8-23-9-7-21/h3-5,10,13H,6-9,11H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyLLXFXASGKCLBSS-ZDUSSCGKSA-N
XLogP1.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56754888
N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95201117
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56715974
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95198420
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-[(2S)-4-methyl-1-[[(2R)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phosphanylpropan-2-yl]amino]-1-oxopentan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 89362208
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56747995

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 56739715) is N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1cccnc1[C@H](C)NC(=O)c1cc(CN2CCOCC2)on1.
What is the InChIKey of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LLXFXASGKCLBSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-4-3-5-18-16(12)13(2)19-17(22)15-10-14(24-20-15)11-21-6-8-23-9-7-21/h3-5,10,13H,6-9,11H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).