5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

C23H27N5O3 — CID 136735074

IUPAC5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)nc(C)[nH]c1=O)CC2
InChIInChI=1S/C23H27N5O3/c1-4-16-7-5-6-8-19(16)26-22-18-13-28(12-11-20(18)31-27-22)21(29)10-9-17-14(2)24-15(3)25-23(17)30/h5-8H,4,9-13H2,1-3H3,(H,26,27)(H,24,25,30)
InChIKeyPBZZHKSMGLOKPP-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.20
Rot. Bonds6

About 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136735074) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136735074
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)nc(C)[nH]c1=O)CC2
InChIInChI=1S/C23H27N5O3/c1-4-16-7-5-6-8-19(16)26-22-18-13-28(12-11-20(18)31-27-22)21(29)10-9-17-14(2)24-15(3)25-23(17)30/h5-8H,4,9-13H2,1-3H3,(H,26,27)(H,24,25,30)
InChIKeyPBZZHKSMGLOKPP-UHFFFAOYSA-N
XLogP3.20
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

1-[4-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-4-oxobutyl]pyrrolidin-2-one
CID 92589175
[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(4-methoxycyclohexyl)methanone
CID 98135079
5-[3-(5,7-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136515602
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92561275
2,4-dimethyl-5-[3-oxo-3-(4-thiophen-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-6-one
CID 136514367
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136968769
2,4-dimethyl-5-[2-oxo-2-(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)ethyl]-1H-pyrimidin-6-one
CID 163312730
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676996
4,6-dimethyl-5-[3-oxo-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propyl]-1H-pyrimidin-2-one
CID 75437393

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136735074) is 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is CCc1ccccc1Nc1noc2c1CN(C(=O)CCc1c(C)nc(C)[nH]c1=O)CC2.
What is the InChIKey of 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PBZZHKSMGLOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-16-7-5-6-8-19(16)26-22-18-13-28(12-11-20(18)31-27-22)21(29)10-9-17-14(2)24-15(3)25-23(17)30/h5-8H,4,9-13H2,1-3H3,(H,26,27)(H,24,25,30).
What are the key properties of 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 421.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136735074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).