(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone

C19H25N3O3 — CID 16671323

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3c(C)noc3C)[C@@H](C)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13-11-21(12-16-6-5-7-17(10-16)24-4)8-9-22(13)19(23)18-14(2)20-25-15(18)3/h5-7,10,13H,8-9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyJDDWTTJUOKLISS-ZDUSSCGKSA-N
MW343.43 g/mol
LogP2.65
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone (PubChem CID 16671323) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
PubChem CID16671323
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3c(C)noc3C)[C@@H](C)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13-11-21(12-16-6-5-7-17(10-16)24-4)8-9-22(13)19(23)18-14(2)20-25-15(18)3/h5-7,10,13H,8-9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyJDDWTTJUOKLISS-ZDUSSCGKSA-N
XLogP2.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20304994
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
6-(3-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137726
3-(3-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579328
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(3-methylisoxazol-5-yl)phenyl]ethane-1,2-dione
CID 44189151
N-[(3-methoxyphenyl)methyl]-3-methyl-4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxamide
CID 135982362
1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-4-(2-phenylethyl)piperazine
CID 1247127
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 2097552
1-Benzhydryl-4-{[5-(3-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3241945
1-{[5-(3-Methoxyphenyl)isoxazol-3-yl]carbonyl}-2,6-dimethylpiperidine
CID 3245596
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4788334
[5-(2-Methoxyphenyl)-3-isoxazolyl]-(1-piperidinyl)methanone
CID 5308525

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone (CID 16671323) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone is COc1cccc(CN2CCN(C(=O)c3c(C)noc3C)[C@@H](C)C2)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone?
The InChIKey is JDDWTTJUOKLISS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-11-21(12-16-6-5-7-17(10-16)24-4)8-9-22(13)19(23)18-14(2)20-25-15(18)3/h5-7,10,13H,8-9,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 16671323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).