5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide

C14H23N3O3 — CID 5307969

IUPAC5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1
InChIInChI=1S/C14H23N3O3/c1-11(2)9-12-10-13(16-20-12)14(18)15-3-4-17-5-7-19-8-6-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyXEIHJSWLPNTPIX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.94
Rot. Bonds6

About 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide

5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 5307969) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID5307969
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1
InChIInChI=1S/C14H23N3O3/c1-11(2)9-12-10-13(16-20-12)14(18)15-3-4-17-5-7-19-8-6-17/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyXEIHJSWLPNTPIX-UHFFFAOYSA-N
XLogP0.94
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cym-5541
CID 17253208
5-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-isoxazolecarboxamide
CID 2970309
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CID 45808906
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 118949515
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
N,N-dicyclohexyl[5-(methylethyl)isoxazol-3-yl]carboxamide
CID 17253281
N,N-dicyclohexyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 25110485
N-cyclohexyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110498

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide (CID 5307969) is 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1.
What is the InChIKey of 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XEIHJSWLPNTPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)9-12-10-13(16-20-12)14(18)15-3-4-17-5-7-19-8-6-17/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide?
5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).