[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone

C22H21N5O2 — CID 171315549

IUPAC[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ccc(-c2cc(C(=O)N3CCCC3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C22H21N5O2/c1-2-27-13-10-17(24-27)18-14-16(22(28)26-11-6-7-12-26)19-20(25-29-21(19)23-18)15-8-4-3-5-9-15/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3
InChIKeyRNVCWDOVCLHMOG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.01
Rot. Bonds4

About [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone

[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 171315549) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID171315549
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCn1ccc(-c2cc(C(=O)N3CCCC3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C22H21N5O2/c1-2-27-13-10-17(24-27)18-14-16(22(28)26-11-6-7-12-26)19-20(25-29-21(19)23-18)15-8-4-3-5-9-15/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3
InChIKeyRNVCWDOVCLHMOG-UHFFFAOYSA-N
XLogP4.01
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone (CID 171315549) is [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone is CCn1ccc(-c2cc(C(=O)N3CCCC3)c3c(-c4ccccc4)noc3n2)n1.
What is the InChIKey of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RNVCWDOVCLHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-27-13-10-17(24-27)18-14-16(22(28)26-11-6-7-12-26)19-20(25-29-21(19)23-18)15-8-4-3-5-9-15/h3-5,8-10,13-14H,2,6-7,11-12H2,1H3.
What are the key properties of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 171315549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).