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

C13H21N3O3 — CID 22427583

IUPACN-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCOCC2)no1
InChIInChI=1S/C13H21N3O3/c1-2-3-11-10-12(15-19-11)13(17)14-4-5-16-6-8-18-9-7-16/h10H,2-9H2,1H3,(H,14,17)
InChIKeyYYOKKYYXZYHFBX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.69
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 22427583) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID22427583
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCOCC2)no1
InChIInChI=1S/C13H21N3O3/c1-2-3-11-10-12(15-19-11)13(17)14-4-5-16-6-8-18-9-7-16/h10H,2-9H2,1H3,(H,14,17)
InChIKeyYYOKKYYXZYHFBX-UHFFFAOYSA-N
XLogP0.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 22427583) is N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCCN2CCOCC2)no1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is YYOKKYYXZYHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-11-10-12(15-19-11)13(17)14-4-5-16-6-8-18-9-7-16/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 22427583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).