(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone

C18H18N4O3 — CID 155526997

IUPAC(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1CCOC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C18H18N4O3/c23-18(16-9-13(21-25-16)11-3-4-11)22-6-7-24-17(10-22)15-8-14-12(20-15)2-1-5-19-14/h1-2,5,8-9,11,17,20H,3-4,6-7,10H2
InChIKeyWOZUIEFXSIZOFF-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.64
Rot. Bonds3

About (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone

(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone (PubChem CID 155526997) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone
PubChem CID155526997
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)no1)N1CCOC(c2cc3ncccc3[nH]2)C1
InChIInChI=1S/C18H18N4O3/c23-18(16-9-13(21-25-16)11-3-4-11)22-6-7-24-17(10-22)15-8-14-12(20-15)2-1-5-19-14/h1-2,5,8-9,11,17,20H,3-4,6-7,10H2
InChIKeyWOZUIEFXSIZOFF-UHFFFAOYSA-N
XLogP2.64
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone (CID 155526997) is (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone is O=C(c1cc(C2CC2)no1)N1CCOC(c2cc3ncccc3[nH]2)C1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone?
The InChIKey is WOZUIEFXSIZOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-18(16-9-13(21-25-16)11-3-4-11)22-6-7-24-17(10-22)15-8-14-12(20-15)2-1-5-19-14/h1-2,5,8-9,11,17,20H,3-4,6-7,10H2.
What are the key properties of (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone?
(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-5-yl)-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 155526997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).