[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C25H26N4O4 — CID 97361868

IUPAC[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCN(C(C)C)CC5)cc34)co2)c1
InChIInChI=1S/C25H26N4O4/c1-16(2)28-9-11-29(12-10-28)25(30)18-7-8-22-20(14-18)23(27-33-22)21-15-32-24(26-21)17-5-4-6-19(13-17)31-3/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCHGWCBCHPRTALS-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.32
Rot. Bonds5

About [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 97361868) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID97361868
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCN(C(C)C)CC5)cc34)co2)c1
InChIInChI=1S/C25H26N4O4/c1-16(2)28-9-11-29(12-10-28)25(30)18-7-8-22-20(14-18)23(27-33-22)21-15-32-24(26-21)17-5-4-6-19(13-17)31-3/h4-8,13-16H,9-12H2,1-3H3
InChIKeyCHGWCBCHPRTALS-UHFFFAOYSA-N
XLogP4.32
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446362
N-[(2,4-difluorophenyl)methyl]-3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazole-5-carboxamide
CID 97361857
[3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 97446394
3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(5-methyl-2-pyridinyl)-1,2-benzoxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155857530
[3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
CID 97410682
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)-1,2-benzoxazole-5-carboxamide
CID 97446304
[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
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
CID 42526479
(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
CID 134803037
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 97361868) is [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCN(C(C)C)CC5)cc34)co2)c1.
What is the InChIKey of [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CHGWCBCHPRTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(2)28-9-11-29(12-10-28)25(30)18-7-8-22-20(14-18)23(27-33-22)21-15-32-24(26-21)17-5-4-6-19(13-17)31-3/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 446.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 97361868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).