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

C17H18N4O3 — CID 97446394

IUPAC[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2noc3ccc(C(=O)N4CCN(C)CC4)cc23)co1
InChIInChI=1S/C17H18N4O3/c1-11-18-14(10-23-11)16-13-9-12(3-4-15(13)24-19-16)17(22)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUSTNKASIIMUGTN-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.18
Rot. Bonds2

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

[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97446394) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97446394
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(-c2noc3ccc(C(=O)N4CCN(C)CC4)cc23)co1
InChIInChI=1S/C17H18N4O3/c1-11-18-14(10-23-11)16-13-9-12(3-4-15(13)24-19-16)17(22)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyUSTNKASIIMUGTN-UHFFFAOYSA-N
XLogP2.18
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
CID 97410682
3-(2-methyl-1,3-oxazol-4-yl)-N-propyl-1,2-benzoxazole-5-carboxamide
CID 134075410
[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 97361868
[4-(dimethylamino)piperidin-1-yl]-[3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843595
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97361849
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108741140
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[2-(3,5-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432686
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 97446394) is [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is Cc1nc(-c2noc3ccc(C(=O)N4CCN(C)CC4)cc23)co1.
What is the InChIKey of [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is USTNKASIIMUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-18-14(10-23-11)16-13-9-12(3-4-15(13)24-19-16)17(22)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 326.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97446394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).