5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C14H18N4O3S — CID 56707005

IUPAC5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C14H18N4O3S/c19-14(16-2-1-13-15-3-8-22-13)12-9-11(21-17-12)10-18-4-6-20-7-5-18/h3,8-9H,1-2,4-7,10H2,(H,16,19)
InChIKeyQKJHRJJDZCBLOU-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.94
Rot. Bonds6

About 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 56707005) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID56707005
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1nccs1)c1cc(CN2CCOCC2)on1
InChIInChI=1S/C14H18N4O3S/c19-14(16-2-1-13-15-3-8-22-13)12-9-11(21-17-12)10-18-4-6-20-7-5-18/h3,8-9H,1-2,4-7,10H2,(H,16,19)
InChIKeyQKJHRJJDZCBLOU-UHFFFAOYSA-N
XLogP0.94
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56751085
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56722266
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
N-[2-(cyclohexen-1-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950917
N-[2-(1H-indol-3-yl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341518
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
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
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 56707005) is 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCc1nccs1)c1cc(CN2CCOCC2)on1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QKJHRJJDZCBLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-14(16-2-1-13-15-3-8-22-13)12-9-11(21-17-12)10-18-4-6-20-7-5-18/h3,8-9H,1-2,4-7,10H2,(H,16,19).
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).