5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one

C20H23N3O4 — CID 52939269

IUPAC5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESCOc1ccc2c(c1)CN(C1CC1)C(=O)CCN2C(=O)c1c(C)noc1C
InChIInChI=1S/C20H23N3O4/c1-12-19(13(2)27-21-12)20(25)22-9-8-18(24)23(15-4-5-15)11-14-10-16(26-3)6-7-17(14)22/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyMUVUDQYIIVXMEA-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds3

About 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one

5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one (PubChem CID 52939269) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one
PubChem CID52939269
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESCOc1ccc2c(c1)CN(C1CC1)C(=O)CCN2C(=O)c1c(C)noc1C
InChIInChI=1S/C20H23N3O4/c1-12-19(13(2)27-21-12)20(25)22-9-8-18(24)23(15-4-5-15)11-14-10-16(26-3)6-7-17(14)22/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyMUVUDQYIIVXMEA-UHFFFAOYSA-N
XLogP2.84
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-8-fluoro-1-(4-fluorobenzoyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70655814
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
5-cyclopropyl-7-(difluoromethoxy)-8-methoxy-1-(3-methyl-1,2-oxazole-5-carbonyl)-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 70656338
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 91811549
5-cyclopropyl-1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 52939504
5-cyclopropyl-1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 52938517
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61258727
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
2-[(3R,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid
CID 51136648
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The IUPAC name of 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one (CID 52939269) is 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one.
What is the SMILES notation for 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The canonical SMILES for 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one is COc1ccc2c(c1)CN(C1CC1)C(=O)CCN2C(=O)c1c(C)noc1C.
What is the InChIKey of 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The InChIKey is MUVUDQYIIVXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12-19(13(2)27-21-12)20(25)22-9-8-18(24)23(15-4-5-15)11-14-10-16(26-3)6-7-17(14)22/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one has a molecular weight of 369.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one is sourced from PubChem (CID 52939269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).