(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C14H19N5O3 — CID 71872856

IUPAC(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C14H19N5O3/c1-8(2)12-15-13(17-16-12)11-7-19(4-5-21-11)14(20)10-6-9(3)22-18-10/h6,8,11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyGUBOIBNGQCRYMJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.44
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71872856) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71872856
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C14H19N5O3/c1-8(2)12-15-13(17-16-12)11-7-19(4-5-21-11)14(20)10-6-9(3)22-18-10/h6,8,11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyGUBOIBNGQCRYMJ-UHFFFAOYSA-N
XLogP1.44
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71872856) is (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is GUBOIBNGQCRYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8(2)12-15-13(17-16-12)11-7-19(4-5-21-11)14(20)10-6-9(3)22-18-10/h6,8,11H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 305.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71872856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).