(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

C24H22N4O2 — CID 56878539

IUPAC(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1cc(C(=O)N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n[nH]1
InChIInChI=1S/C24H22N4O2/c1-2-19-14-21(26-25-19)24(29)28-13-12-22-20(15-28)23(27-30-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,26)
InChIKeyRVFXQJNBXOTSJV-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.49
Rot. Bonds4

About (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone

(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 56878539) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID56878539
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1cc(C(=O)N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n[nH]1
InChIInChI=1S/C24H22N4O2/c1-2-19-14-21(26-25-19)24(29)28-13-12-22-20(15-28)23(27-30-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,26)
InChIKeyRVFXQJNBXOTSJV-UHFFFAOYSA-N
XLogP4.49
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 56878539) is (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is CCc1cc(C(=O)N2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)n[nH]1.
What is the InChIKey of (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is RVFXQJNBXOTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-19-14-21(26-25-19)24(29)28-13-12-22-20(15-28)23(27-30-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3,(H,25,26).
What are the key properties of (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone?
(5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1H-pyrazol-3-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 56878539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).