8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one

C17H20N4O5 — CID 131691252

IUPAC8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one
SMILESCOCCn1cnc2c(c1=O)OCCN(C(=O)c1cc(C3CC3)on1)C2
InChIInChI=1S/C17H20N4O5/c1-24-6-4-21-10-18-13-9-20(5-7-25-15(13)17(21)23)16(22)12-8-14(26-19-12)11-2-3-11/h8,10-11H,2-7,9H2,1H3
InChIKeyAHTGUUSLSBKEEX-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.79
Rot. Bonds5

About 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one

8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one (PubChem CID 131691252) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one.

Molecular Properties

Compound Name8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one
PubChem CID131691252
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one
SMILESCOCCn1cnc2c(c1=O)OCCN(C(=O)c1cc(C3CC3)on1)C2
InChIInChI=1S/C17H20N4O5/c1-24-6-4-21-10-18-13-9-20(5-7-25-15(13)17(21)23)16(22)12-8-14(26-19-12)11-2-3-11/h8,10-11H,2-7,9H2,1H3
InChIKeyAHTGUUSLSBKEEX-UHFFFAOYSA-N
XLogP0.79
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one with MolForge

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Related Compounds

8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
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(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methoxy-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methanone
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(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131688336
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 86264580
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561700

Frequently Asked Questions

What is the IUPAC name of 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one?
The IUPAC name of 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one (CID 131691252) is 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one.
What is the SMILES notation for 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one?
The canonical SMILES for 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one is COCCn1cnc2c(c1=O)OCCN(C(=O)c1cc(C3CC3)on1)C2.
What is the InChIKey of 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one?
The InChIKey is AHTGUUSLSBKEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-24-6-4-21-10-18-13-9-20(5-7-25-15(13)17(21)23)16(22)12-8-14(26-19-12)11-2-3-11/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one?
8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one has a molecular weight of 360.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-(2-methoxyethyl)-7,9-dihydro-6H-pyrimido[4,5-f][1,4]oxazepin-4-one is sourced from PubChem (CID 131691252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).