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

C19H24N2O3 — CID 19488187

IUPACazepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cccc(OCc2c(C(=O)N3CCCCCC3)noc2C)c1
InChIInChI=1S/C19H24N2O3/c1-14-8-7-9-16(12-14)23-13-17-15(2)24-20-18(17)19(22)21-10-5-3-4-6-11-21/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyAQLFKFQZRYERRH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.89
Rot. Bonds4

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

azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 19488187) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID19488187
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameazepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cccc(OCc2c(C(=O)N3CCCCCC3)noc2C)c1
InChIInChI=1S/C19H24N2O3/c1-14-8-7-9-16(12-14)23-13-17-15(2)24-20-18(17)19(22)21-10-5-3-4-6-11-21/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyAQLFKFQZRYERRH-UHFFFAOYSA-N
XLogP3.89
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19486016
[4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19444372
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19492661
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19444381
ethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-4-carboxylate
CID 19486388
(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19486314
[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 20932299
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
[4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19490559
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19492644
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275053

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 19488187) is azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is Cc1cccc(OCc2c(C(=O)N3CCCCCC3)noc2C)c1.
What is the InChIKey of azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is AQLFKFQZRYERRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-8-7-9-16(12-14)23-13-17-15(2)24-20-18(17)19(22)21-10-5-3-4-6-11-21/h7-9,12H,3-6,10-11,13H2,1-2H3.
What are the key properties of azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 19488187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).