azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone

C19H25N3O3 — CID 84588348

IUPACazepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1NCc1ncc(C)o1
InChIInChI=1S/C19H25N3O3/c1-14-12-21-18(25-14)13-20-16-11-15(7-8-17(16)24-2)19(23)22-9-5-3-4-6-10-22/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3
InChIKeyFMLOLOZAIJWTLI-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds5

About azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone

azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone (PubChem CID 84588348) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
PubChem CID84588348
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameazepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1NCc1ncc(C)o1
InChIInChI=1S/C19H25N3O3/c1-14-12-21-18(25-14)13-20-16-11-15(7-8-17(16)24-2)19(23)22-9-5-3-4-6-10-22/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3
InChIKeyFMLOLOZAIJWTLI-UHFFFAOYSA-N
XLogP3.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
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azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
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ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone (CID 84588348) is azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone is COc1ccc(C(=O)N2CCCCCC2)cc1NCc1ncc(C)o1.
What is the InChIKey of azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone?
The InChIKey is FMLOLOZAIJWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-12-21-18(25-14)13-20-16-11-15(7-8-17(16)24-2)19(23)22-9-5-3-4-6-10-22/h7-8,11-12,20H,3-6,9-10,13H2,1-2H3.
What are the key properties of azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone?
azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone has a molecular weight of 343.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 84588348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).