(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

C24H33N3O4 — CID 23825810

IUPAC(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cc(CN2CCCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)no1
InChIInChI=1S/C24H33N3O4/c1-15-13-19(25-31-15)14-26-9-6-10-27(12-11-26)23(29)24(5)8-7-20-18(4)21(28)16(2)17(3)22(20)30-24/h13,28H,6-12,14H2,1-5H3
InChIKeyPJCBKACZTCYDND-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.43
Rot. Bonds3

About (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 23825810) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID23825810
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cc(CN2CCCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)no1
InChIInChI=1S/C24H33N3O4/c1-15-13-19(25-31-15)14-26-9-6-10-27(12-11-26)23(29)24(5)8-7-20-18(4)21(28)16(2)17(3)22(20)30-24/h13,28H,6-12,14H2,1-5H3
InChIKeyPJCBKACZTCYDND-UHFFFAOYSA-N
XLogP3.43
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

(1-aminocyclopropyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835162
(1-hydroxycyclopentyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 110907005
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110646494
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 97202719
[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidin-1-yl]-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methanone;hydrochloride
CID 139906536
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
CID 15024206
N'-[4-[4-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)piperazin-1-yl]phenyl]thiophene-2-carboximidamide
CID 18765768

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 23825810) is (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1cc(CN2CCCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)no1.
What is the InChIKey of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is PJCBKACZTCYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-15-13-19(25-31-15)14-26-9-6-10-27(12-11-26)23(29)24(5)8-7-20-18(4)21(28)16(2)17(3)22(20)30-24/h13,28H,6-12,14H2,1-5H3.
What are the key properties of (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 427.55 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 23825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).