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

C16H21N5O3 — CID 71872852

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-9(2)14-17-15(19-18-14)13-8-21(5-6-23-13)16(22)11-7-12(24-20-11)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyRRWYNQPBDYRZSB-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.01
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71872852) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (5-cyclopropyl-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-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71872852
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-9(2)14-17-15(19-18-14)13-8-21(5-6-23-13)16(22)11-7-12(24-20-11)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyRRWYNQPBDYRZSB-UHFFFAOYSA-N
XLogP2.01
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-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-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71872852) is (5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)c3cc(C4CC4)on3)CCO2)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is RRWYNQPBDYRZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9(2)14-17-15(19-18-14)13-8-21(5-6-23-13)16(22)11-7-12(24-20-11)10-3-4-10/h7,9-10,13H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
(5-cyclopropyl-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 331.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-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 71872852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).