3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide

C13H21N3O3 — CID 154149811

IUPAC3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CC1C(C(N)=O)OCCN1Cc1cnco1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-11-12(13(14)17)18-4-3-16(11)7-10-6-15-8-19-10/h6,8-9,11-12H,3-5,7H2,1-2H3,(H2,14,17)
InChIKeyOXGBLMRVMQMGIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.78
Rot. Bonds5

About 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide

3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide (PubChem CID 154149811) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide
PubChem CID154149811
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CC1C(C(N)=O)OCCN1Cc1cnco1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-11-12(13(14)17)18-4-3-16(11)7-10-6-15-8-19-10/h6,8-9,11-12H,3-5,7H2,1-2H3,(H2,14,17)
InChIKeyOXGBLMRVMQMGIF-UHFFFAOYSA-N
XLogP0.78
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide (CID 154149811) is 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide is CC(C)CC1C(C(N)=O)OCCN1Cc1cnco1.
What is the InChIKey of 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide?
The InChIKey is OXGBLMRVMQMGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)5-11-12(13(14)17)18-4-3-16(11)7-10-6-15-8-19-10/h6,8-9,11-12H,3-5,7H2,1-2H3,(H2,14,17).
What are the key properties of 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide?
3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(1,3-oxazol-5-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 154149811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).