(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone

C18H22N2O2 — CID 90608578

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-11-7-6-10-16(12-20)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3
InChIKeyMEUIABKHYRVAES-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.70
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone (PubChem CID 90608578) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
PubChem CID90608578
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-11-7-6-10-16(12-20)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3
InChIKeyMEUIABKHYRVAES-UHFFFAOYSA-N
XLogP3.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
(3,5-dimethyl-1,2-oxazol-4-yl)-(7-phenyl-1,4-thiazepan-4-yl)methanone
CID 90629477
2-[3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072967
[(3R,3aS,9aR)-4-methyl-3-phenyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 92605418
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92633071
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608540

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone (CID 90608578) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is MEUIABKHYRVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-11-7-6-10-16(12-20)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 90608578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).