(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone

C15H17N3O3 — CID 136553748

IUPAC(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
SMILESCC1CCOCCN1C(=O)c1coc(-c2cccnc2)n1
InChIInChI=1S/C15H17N3O3/c1-11-4-7-20-8-6-18(11)15(19)13-10-21-14(17-13)12-3-2-5-16-9-12/h2-3,5,9-11H,4,6-8H2,1H3
InChIKeyHHRCAIIIRLFWMC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.99
Rot. Bonds2

About (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone

(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone (PubChem CID 136553748) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
PubChem CID136553748
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
SMILESCC1CCOCCN1C(=O)c1coc(-c2cccnc2)n1
InChIInChI=1S/C15H17N3O3/c1-11-4-7-20-8-6-18(11)15(19)13-10-21-14(17-13)12-3-2-5-16-9-12/h2-3,5,9-11H,4,6-8H2,1H3
InChIKeyHHRCAIIIRLFWMC-UHFFFAOYSA-N
XLogP1.99
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-ethyl-4-(2-pyridin-3-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-2-one
CID 136587026
(2-methylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 22427477
(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856349
(8-amino-6-azaspiro[3.4]octan-6-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone
CID 138011647
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(5-methyl-1,4-oxazepan-4-yl)methanone
CID 136542799
4-[(2-methylpiperidin-1-yl)methyl]-2-(4-pyridin-3-ylphenyl)-1,3-oxazole
CID 11537304
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone (CID 136553748) is (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone is CC1CCOCCN1C(=O)c1coc(-c2cccnc2)n1.
What is the InChIKey of (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is HHRCAIIIRLFWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-4-7-20-8-6-18(11)15(19)13-10-21-14(17-13)12-3-2-5-16-9-12/h2-3,5,9-11H,4,6-8H2,1H3.
What are the key properties of (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone?
(5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,4-oxazepan-4-yl)-(2-pyridin-3-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 136553748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).