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

C22H21N5O3 — CID 171315282

IUPAC[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCCn1ccc(-c2cc(C(=O)N3CCOCC3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C22H21N5O3/c1-2-27-9-8-17(24-27)18-14-16(22(28)26-10-12-29-13-11-26)19-20(25-30-21(19)23-18)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyMFUHWAIKQGRYRA-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.25
Rot. Bonds4

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

[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 171315282) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID171315282
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCCn1ccc(-c2cc(C(=O)N3CCOCC3)c3c(-c4ccccc4)noc3n2)n1
InChIInChI=1S/C22H21N5O3/c1-2-27-9-8-17(24-27)18-14-16(22(28)26-10-12-29-13-11-26)19-20(25-30-21(19)23-18)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyMFUHWAIKQGRYRA-UHFFFAOYSA-N
XLogP3.25
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(4-methylphenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 171315340
6-(1-ethylpyrazol-3-yl)-N,3-diphenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315294
N-(2,2-difluoroethyl)-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315435
N-cyclohexyl-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315511
(4-ethylsulfonylpiperazin-1-yl)-(6-methyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 19617120
furan-2-yl-[4-[6-(furan-2-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 19615775
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44824314
ethyl 4-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 45493259
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922606
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 119357870
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315436

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]-morpholin-4-ylmethanone?
The IUPAC name of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 171315282) is [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is CCn1ccc(-c2cc(C(=O)N3CCOCC3)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]-morpholin-4-ylmethanone?
The InChIKey is MFUHWAIKQGRYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-2-27-9-8-17(24-27)18-14-16(22(28)26-10-12-29-13-11-26)19-20(25-30-21(19)23-18)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of [6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 403.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 171315282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).