3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

C14H23N3O3 — CID 47116520

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10(2)13-12(11(3)16-20-13)14(18)15-4-5-17-6-8-19-9-7-17/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyAHKUCNNTZARUEH-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.17
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 47116520) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID47116520
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-10(2)13-12(11(3)16-20-13)14(18)15-4-5-17-6-8-19-9-7-17/h10H,4-9H2,1-3H3,(H,15,18)
InChIKeyAHKUCNNTZARUEH-UHFFFAOYSA-N
XLogP1.17
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 47116520) is 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is AHKUCNNTZARUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)13-12(11(3)16-20-13)14(18)15-4-5-17-6-8-19-9-7-17/h10H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47116520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).