3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide

C27H34N4O3 — CID 55620780

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C27H34N4O3/c1-20-25(21(2)34-29-20)19-33-24-12-7-11-23(17-24)27(32)28-13-8-14-31-16-15-30(3)18-26(31)22-9-5-4-6-10-22/h4-7,9-12,17,26H,8,13-16,18-19H2,1-3H3,(H,28,32)
InChIKeyXFVDNLMJKMKXCY-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.98
Rot. Bonds9

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 55620780) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID55620780
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C27H34N4O3/c1-20-25(21(2)34-29-20)19-33-24-12-7-11-23(17-24)27(32)28-13-8-14-31-16-15-30(3)18-26(31)22-9-5-4-6-10-22/h4-7,9-12,17,26H,8,13-16,18-19H2,1-3H3,(H,28,32)
InChIKeyXFVDNLMJKMKXCY-UHFFFAOYSA-N
XLogP3.98
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533897
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533896
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46557184
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 7964223
3-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55620577
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide (CID 55620780) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCCCN2CCN(C)CC2c2ccccc2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is XFVDNLMJKMKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20-25(21(2)34-29-20)19-33-24-12-7-11-23(17-24)27(32)28-13-8-14-31-16-15-30(3)18-26(31)22-9-5-4-6-10-22/h4-7,9-12,17,26H,8,13-16,18-19H2,1-3H3,(H,28,32).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 55620780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).