(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone

C19H25FN6O3 — CID 138381091

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H25FN6O3/c1-13-16(14(2)29-23-13)18(27)25-4-3-5-26(7-6-25)19-21-12-15(20)17(22-19)24-8-10-28-11-9-24/h12H,3-11H2,1-2H3
InChIKeySRHCCOMNHXDSHC-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.41
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138381091) has the molecular formula C19H25FN6O3 and a molecular weight of 404.45 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138381091
Molecular FormulaC19H25FN6O3
Molecular Weight404.45 g/mol
Exact Mass404.20
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H25FN6O3/c1-13-16(14(2)29-23-13)18(27)25-4-3-5-26(7-6-25)19-21-12-15(20)17(22-19)24-8-10-28-11-9-24/h12H,3-11H2,1-2H3
InChIKeySRHCCOMNHXDSHC-UHFFFAOYSA-N
XLogP1.41
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234854
4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]morpholine
CID 3233635
(3,5-Dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 56706097
[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 56817835
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959453
(3,5-Dimethylisoxazol-4-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631600
[(3S)-3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 129522956
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 91814115
9-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372291
(3,5-Dimethylisoxazol-4-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100412
2-(3,5-Dimethylisoxazol-4-yl)-1-(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)ethanone
CID 122160238

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone (CID 138381091) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is SRHCCOMNHXDSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O3/c1-13-16(14(2)29-23-13)18(27)25-4-3-5-26(7-6-25)19-21-12-15(20)17(22-19)24-8-10-28-11-9-24/h12H,3-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 404.45 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138381091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).