(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C22H26N4O2 — CID 126778375

IUPAC(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCCC1CN(c2ccccc2)CCN1C(=O)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C22H26N4O2/c1-4-17-14-25(18-8-6-5-7-9-18)10-11-26(17)22(27)16-12-19-20(15(2)3)24-28-21(19)23-13-16/h5-9,12-13,15,17H,4,10-11,14H2,1-3H3
InChIKeyJKJRXUGUAXNDTC-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.09
Rot. Bonds4

About (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 126778375) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID126778375
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCCC1CN(c2ccccc2)CCN1C(=O)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C22H26N4O2/c1-4-17-14-25(18-8-6-5-7-9-18)10-11-26(17)22(27)16-12-19-20(15(2)3)24-28-21(19)23-13-16/h5-9,12-13,15,17H,4,10-11,14H2,1-3H3
InChIKeyJKJRXUGUAXNDTC-UHFFFAOYSA-N
XLogP4.09
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide
CID 126766808
(3S)-3-methyl-4-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-2-one
CID 136588009
[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 99805993
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
(2-ethyl-4-phenylpiperazin-1-yl)-isoquinolin-8-ylmethanone
CID 166239852
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86848786
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24642473
3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 102558109
N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25333039
N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
CID 86882226
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 164638325
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 126778375) is (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is CCC1CN(c2ccccc2)CCN1C(=O)c1cnc2onc(C(C)C)c2c1.
What is the InChIKey of (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is JKJRXUGUAXNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-17-14-25(18-8-6-5-7-9-18)10-11-26(17)22(27)16-12-19-20(15(2)3)24-28-21(19)23-13-16/h5-9,12-13,15,17H,4,10-11,14H2,1-3H3.
What are the key properties of (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
(2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 126778375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).