N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C16H20N4O4 — CID 95201117

IUPACN-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](CO)c1cccnc1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C16H20N4O4/c21-11-15(12-2-1-3-17-9-12)18-16(22)14-8-13(24-19-14)10-20-4-6-23-7-5-20/h1-3,8-9,15,21H,4-7,10-11H2,(H,18,22)/t15-/m1/s1
InChIKeyHNLUYCDETNUNQD-OAHLLOKOSA-N
MW332.36 g/mol
LogP0.37
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 95201117) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID95201117
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](CO)c1cccnc1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C16H20N4O4/c21-11-15(12-2-1-3-17-9-12)18-16(22)14-8-13(24-19-14)10-20-4-6-23-7-5-20/h1-3,8-9,15,21H,4-7,10-11H2,(H,18,22)/t15-/m1/s1
InChIKeyHNLUYCDETNUNQD-OAHLLOKOSA-N
XLogP0.37
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56739715
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-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
N-(2-hydroxy-3-phenylpropyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56747995
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
benzyl (2S)-2-[[(2S)-2-[[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]amino]-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 118673067
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 59217732
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
N-(2-morpholin-4-yl-1-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 45132972

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 95201117) is N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(N[C@H](CO)c1cccnc1)c1cc(CN2CCOCC2)on1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HNLUYCDETNUNQD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-11-15(12-2-1-3-17-9-12)18-16(22)14-8-13(24-19-14)10-20-4-6-23-7-5-20/h1-3,8-9,15,21H,4-7,10-11H2,(H,18,22)/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95201117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).