[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

C26H26N4O5 — CID 55753725

IUPAC[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4cc3OCc3c(C)noc3C)CC2)on1
InChIInChI=1S/C26H26N4O5/c1-16-12-24(35-27-16)26(32)30-10-8-29(9-11-30)25(31)21-13-19-6-4-5-7-20(19)14-23(21)33-15-22-17(2)28-34-18(22)3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyKODIQIZQWIVKIX-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.92
Rot. Bonds5

About [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone

[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 55753725) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID55753725
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4cc3OCc3c(C)noc3C)CC2)on1
InChIInChI=1S/C26H26N4O5/c1-16-12-24(35-27-16)26(32)30-10-8-29(9-11-30)25(31)21-13-19-6-4-5-7-20(19)14-23(21)33-15-22-17(2)28-34-18(22)3/h4-7,12-14H,8-11,15H2,1-3H3
InChIKeyKODIQIZQWIVKIX-UHFFFAOYSA-N
XLogP3.92
TPSA101.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 55754096
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 43020525
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763013
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55467016
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 8745831
(4-cyanophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate
CID 7744557
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447549
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 138603689
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-morpholin-4-ylcyclohexyl)methyl]naphthalene-2-carboxamide
CID 47004566

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone (CID 55753725) is [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3cc4ccccc4cc3OCc3c(C)noc3C)CC2)on1.
What is the InChIKey of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KODIQIZQWIVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-16-12-24(35-27-16)26(32)30-10-8-29(9-11-30)25(31)21-13-19-6-4-5-7-20(19)14-23(21)33-15-22-17(2)28-34-18(22)3/h4-7,12-14H,8-11,15H2,1-3H3.
What are the key properties of [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone?
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 474.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalen-2-yl]-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55753725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).