N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide

C11H17N3O3 — CID 114180212

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2COCCN2)o1
InChIInChI=1S/C11H17N3O3/c1-2-8-5-13-10(17-8)6-14-11(15)9-7-16-4-3-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15)
InChIKeySIGMPBNMPFGIFQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds4

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 114180212) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
PubChem CID114180212
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2COCCN2)o1
InChIInChI=1S/C11H17N3O3/c1-2-8-5-13-10(17-8)6-14-11(15)9-7-16-4-3-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15)
InChIKeySIGMPBNMPFGIFQ-UHFFFAOYSA-N
XLogP-0.16
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide (CID 114180212) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide is CCc1cnc(CNC(=O)C2COCCN2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is SIGMPBNMPFGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-8-5-13-10(17-8)6-14-11(15)9-7-16-4-3-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 114180212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).