[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C18H24F2N4O2 — CID 126785494

IUPAC[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(CC(F)F)CC2)c2c(C(C)C)noc2n1
InChIInChI=1S/C18H24F2N4O2/c1-11(2)16-15-13(9-12(3)21-17(15)26-22-16)18(25)24-6-4-5-23(7-8-24)10-14(19)20/h9,11,14H,4-8,10H2,1-3H3
InChIKeyCJXBGYVFZSVNSE-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.07
Rot. Bonds4

About [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 126785494) has the molecular formula C18H24F2N4O2 and a molecular weight of 366.41 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID126785494
Molecular FormulaC18H24F2N4O2
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Name[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCN(CC(F)F)CC2)c2c(C(C)C)noc2n1
InChIInChI=1S/C18H24F2N4O2/c1-11(2)16-15-13(9-12(3)21-17(15)26-22-16)18(25)24-6-4-5-23(7-8-24)10-14(19)20/h9,11,14H,4-8,10H2,1-3H3
InChIKeyCJXBGYVFZSVNSE-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

2-[4-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858866
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 128883391
[6-methyl-3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 171315436
(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 120571521
ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 18149111
6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337490
[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 18133209
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119497068

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 126785494) is [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1cc(C(=O)N2CCCN(CC(F)F)CC2)c2c(C(C)C)noc2n1.
What is the InChIKey of [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is CJXBGYVFZSVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O2/c1-11(2)16-15-13(9-12(3)21-17(15)26-22-16)18(25)24-6-4-5-23(7-8-24)10-14(19)20/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 366.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 126785494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).